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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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_no_restraint-dfbe4677/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/prfA_no_restraint-dfbe4677/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 = 8000000
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -446.411494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.411494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.411494 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -140.636
Base-Backbone interact. energy: -1.368
local terms energy: -283.067747
where:
bonds (distance) C4'-P energy: -85.992
bonds (distance) P-C4' energy: -70.373
flat angles C4'-P-C4' energy: -67.319
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -16.646
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: 5
Temperature: 1.200000
Total energy: -418.762711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.762711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.762711 (E_RNA)
where:
Base-Base interactions energy: -140.066
where: short stacking energy: -137.848
Base-Backbone interact. energy: 2.372
local terms energy: -281.068687
where:
bonds (distance) C4'-P energy: -65.586
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -51.357
tors. eta vs tors. theta energy: -28.334
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: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -366.816923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.816923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.816923 (E_RNA)
where:
Base-Base interactions energy: -117.344
where: short stacking energy: -104.955
Base-Backbone interact. energy: -1.245
local terms energy: -248.227252
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -73.229
flat angles C4'-P-C4' energy: -70.539
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -7.313
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: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -358.102258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.102258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.102258 (E_RNA)
where:
Base-Base interactions energy: -108.185
where: short stacking energy: -102.748
Base-Backbone interact. energy: -1.886
local terms energy: -248.031201
where:
bonds (distance) C4'-P energy: -78.884
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -55.657
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: 1.263
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: 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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -855.809464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.809464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.809464 (E_RNA)
where:
Base-Base interactions energy: -436.840
where: short stacking energy: -309.573
Base-Backbone interact. energy: -0.438
local terms energy: -418.531355
where:
bonds (distance) C4'-P energy: -84.775
bonds (distance) P-C4' energy: -91.404
flat angles C4'-P-C4' energy: -87.084
flat angles P-C4'-P energy: -59.830
tors. eta vs tors. theta energy: -95.438
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: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -802.583726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.583726 (E_RNA)
where:
Base-Base interactions energy: -474.089
where: short stacking energy: -250.692
Base-Backbone interact. energy: -2.627
local terms energy: -325.867753
where:
bonds (distance) C4'-P energy: -66.870
bonds (distance) P-C4' energy: -69.317
flat angles C4'-P-C4' energy: -82.554
flat angles P-C4'-P energy: -52.205
tors. eta vs tors. theta energy: -54.921
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: 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: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -456.294363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.294363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.294363 (E_RNA)
where:
Base-Base interactions energy: -196.031
where: short stacking energy: -142.780
Base-Backbone interact. energy: 0.907
local terms energy: -261.169795
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -67.848
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -23.001
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: 6
Temperature: 1.200000
Total energy: -406.617226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.617226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.617226 (E_RNA)
where:
Base-Base interactions energy: -163.962
where: short stacking energy: -127.170
Base-Backbone interact. energy: -0.002
local terms energy: -242.653630
where:
bonds (distance) C4'-P energy: -63.605
bonds (distance) P-C4' energy: -76.817
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -2.073
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: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -367.651393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.651393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.651393 (E_RNA)
where:
Base-Base interactions energy: -135.495
where: short stacking energy: -125.653
Base-Backbone interact. energy: -1.054
local terms energy: -231.102193
where:
bonds (distance) C4'-P energy: -64.045
bonds (distance) P-C4' energy: -73.131
flat angles C4'-P-C4' energy: -54.740
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -7.271
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: 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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -299.402275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.402275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.402275 (E_RNA)
where:
Base-Base interactions energy: -92.432
where: short stacking energy: -69.702
Base-Backbone interact. energy: -1.769
local terms energy: -205.201540
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -64.541
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: 15.532
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -811.617288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.617288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.617288 (E_RNA)
where:
Base-Base interactions energy: -428.226
where: short stacking energy: -273.379
Base-Backbone interact. energy: 0.133
local terms energy: -383.524496
where:
bonds (distance) C4'-P energy: -79.328
bonds (distance) P-C4' energy: -86.304
flat angles C4'-P-C4' energy: -85.430
flat angles P-C4'-P energy: -53.245
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: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -832.430600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.430600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.430600 (E_RNA)
where:
Base-Base interactions energy: -471.275
where: short stacking energy: -254.198
Base-Backbone interact. energy: -0.992
local terms energy: -360.163350
where:
bonds (distance) C4'-P energy: -84.840
bonds (distance) P-C4' energy: -86.212
flat angles C4'-P-C4' energy: -74.890
flat angles P-C4'-P energy: -50.178
tors. eta vs tors. theta energy: -64.044
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: 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: -475.737517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.737517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.737517 (E_RNA)
where:
Base-Base interactions energy: -194.742
where: short stacking energy: -152.697
Base-Backbone interact. energy: -0.970
local terms energy: -280.025765
where:
bonds (distance) C4'-P energy: -67.474
bonds (distance) P-C4' energy: -74.197
flat angles C4'-P-C4' energy: -69.651
flat angles P-C4'-P energy: -47.238
tors. eta vs tors. theta energy: -21.467
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: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -438.079426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.079426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.079426 (E_RNA)
where:
Base-Base interactions energy: -173.301
where: short stacking energy: -136.449
Base-Backbone interact. energy: -1.408
local terms energy: -263.369928
where:
bonds (distance) C4'-P energy: -64.813
bonds (distance) P-C4' energy: -72.777
flat angles C4'-P-C4' energy: -65.911
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: -8.991
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: 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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -360.370264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.370264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.370264 (E_RNA)
where:
Base-Base interactions energy: -132.928
where: short stacking energy: -111.391
Base-Backbone interact. energy: -1.068
local terms energy: -226.374043
where:
bonds (distance) C4'-P energy: -65.140
bonds (distance) P-C4' energy: -57.731
flat angles C4'-P-C4' energy: -65.633
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -6.462
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -322.774635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.774635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.774635 (E_RNA)
where:
Base-Base interactions energy: -89.721
where: short stacking energy: -79.083
Base-Backbone interact. energy: 2.568
local terms energy: -235.620806
where:
bonds (distance) C4'-P energy: -76.277
bonds (distance) P-C4' energy: -77.516
flat angles C4'-P-C4' energy: -49.830
flat angles P-C4'-P energy: -47.678
tors. eta vs tors. theta energy: 15.680
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: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -941.930651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.930651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.930651 (E_RNA)
where:
Base-Base interactions energy: -556.658
where: short stacking energy: -288.134
Base-Backbone interact. energy: -3.323
local terms energy: -381.949901
where:
bonds (distance) C4'-P energy: -80.349
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -86.409
flat angles P-C4'-P energy: -52.969
tors. eta vs tors. theta energy: -74.900
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -815.147189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.147189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.147189 (E_RNA)
where:
Base-Base interactions energy: -478.275
where: short stacking energy: -272.675
Base-Backbone interact. energy: -0.997
local terms energy: -335.875074
where:
bonds (distance) C4'-P energy: -71.613
bonds (distance) P-C4' energy: -78.549
flat angles C4'-P-C4' energy: -76.417
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -62.190
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: 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: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -549.611416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.611416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.611416 (E_RNA)
where:
Base-Base interactions energy: -277.610
where: short stacking energy: -178.658
Base-Backbone interact. energy: -1.004
local terms energy: -270.996801
where:
bonds (distance) C4'-P energy: -76.605
bonds (distance) P-C4' energy: -69.306
flat angles C4'-P-C4' energy: -81.709
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -15.390
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: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -473.764401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.764401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.764401 (E_RNA)
where:
Base-Base interactions energy: -225.495
where: short stacking energy: -133.649
Base-Backbone interact. energy: 0.634
local terms energy: -248.903478
where:
bonds (distance) C4'-P energy: -59.620
bonds (distance) P-C4' energy: -74.927
flat angles C4'-P-C4' energy: -64.217
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -14.931
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: 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: -432.631858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.631858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.631858 (E_RNA)
where:
Base-Base interactions energy: -186.365
where: short stacking energy: -137.076
Base-Backbone interact. energy: 0.966
local terms energy: -247.232255
where:
bonds (distance) C4'-P energy: -60.539
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -77.521
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -11.925
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: 8
Temperature: 1.300000
Total energy: -360.898295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.898295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.898295 (E_RNA)
where:
Base-Base interactions energy: -147.710
where: short stacking energy: -99.157
Base-Backbone interact. energy: -1.422
local terms energy: -211.766521
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -63.505
flat angles C4'-P-C4' energy: -47.973
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: 6.279
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: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -328.437220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.437220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.437220 (E_RNA)
where:
Base-Base interactions energy: -115.364
where: short stacking energy: -89.026
Base-Backbone interact. energy: -0.412
local terms energy: -212.661287
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -66.811
flat angles C4'-P-C4' energy: -68.756
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: 18.493
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: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -957.861084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.861084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.861084 (E_RNA)
where:
Base-Base interactions energy: -599.976
where: short stacking energy: -299.449
Base-Backbone interact. energy: -2.017
local terms energy: -355.868195
where:
bonds (distance) C4'-P energy: -71.090
bonds (distance) P-C4' energy: -76.413
flat angles C4'-P-C4' energy: -86.000
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -71.415
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -868.437430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.437430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.437430 (E_RNA)
where:
Base-Base interactions energy: -495.773
where: short stacking energy: -306.922
Base-Backbone interact. energy: -1.343
local terms energy: -371.321398
where:
bonds (distance) C4'-P energy: -77.753
bonds (distance) P-C4' energy: -77.374
flat angles C4'-P-C4' energy: -85.663
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -80.134
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: 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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -626.616924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.616924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.616924 (E_RNA)
where:
Base-Base interactions energy: -315.157
where: short stacking energy: -175.253
Base-Backbone interact. energy: 1.230
local terms energy: -312.689464
where:
bonds (distance) C4'-P energy: -67.528
bonds (distance) P-C4' energy: -82.184
flat angles C4'-P-C4' energy: -77.179
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: -38.694
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: 9
Temperature: 1.150000
Total energy: -563.628462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.628462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.628462 (E_RNA)
where:
Base-Base interactions energy: -274.874
where: short stacking energy: -160.561
Base-Backbone interact. energy: 0.400
local terms energy: -289.154146
where:
bonds (distance) C4'-P energy: -79.134
bonds (distance) P-C4' energy: -75.472
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -26.112
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: 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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -399.688054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.688054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.688054 (E_RNA)
where:
Base-Base interactions energy: -182.400
where: short stacking energy: -111.001
Base-Backbone interact. energy: -2.155
local terms energy: -215.133121
where:
bonds (distance) C4'-P energy: -69.658
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -46.347
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: 1.433
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: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -353.719660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.719660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.719660 (E_RNA)
where:
Base-Base interactions energy: -152.698
where: short stacking energy: -113.069
Base-Backbone interact. energy: -0.304
local terms energy: -200.718095
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -77.113
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: 7.321
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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -312.320627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.320627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.320627 (E_RNA)
where:
Base-Base interactions energy: -127.904
where: short stacking energy: -93.939
Base-Backbone interact. energy: 1.893
local terms energy: -186.310188
where:
bonds (distance) C4'-P energy: -65.994
bonds (distance) P-C4' energy: -71.140
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: 21.720
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: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -959.084545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.084545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.084545 (E_RNA)
where:
Base-Base interactions energy: -567.453
where: short stacking energy: -259.887
Base-Backbone interact. energy: -2.163
local terms energy: -389.469205
where:
bonds (distance) C4'-P energy: -85.042
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -75.264
flat angles P-C4'-P energy: -64.703
tors. eta vs tors. theta energy: -76.095
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -901.883498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.883498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.883498 (E_RNA)
where:
Base-Base interactions energy: -530.386
where: short stacking energy: -307.077
Base-Backbone interact. energy: -1.034
local terms energy: -370.463571
where:
bonds (distance) C4'-P energy: -76.373
bonds (distance) P-C4' energy: -75.687
flat angles C4'-P-C4' energy: -79.406
flat angles P-C4'-P energy: -55.898
tors. eta vs tors. theta energy: -83.099
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: 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: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -572.107184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.107184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.107184 (E_RNA)
where:
Base-Base interactions energy: -284.563
where: short stacking energy: -179.848
Base-Backbone interact. energy: 0.996
local terms energy: -288.540433
where:
bonds (distance) C4'-P energy: -66.344
bonds (distance) P-C4' energy: -82.931
flat angles C4'-P-C4' energy: -69.029
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -31.224
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -573.792483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.792483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.792483 (E_RNA)
where:
Base-Base interactions energy: -288.557
where: short stacking energy: -196.038
Base-Backbone interact. energy: -1.116
local terms energy: -284.118904
where:
bonds (distance) C4'-P energy: -77.295
bonds (distance) P-C4' energy: -66.465
flat angles C4'-P-C4' energy: -58.107
flat angles P-C4'-P energy: -46.290
tors. eta vs tors. theta energy: -35.962
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: 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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -410.650107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.650107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.650107 (E_RNA)
where:
Base-Base interactions energy: -170.459
where: short stacking energy: -104.427
Base-Backbone interact. energy: -0.673
local terms energy: -239.517460
where:
bonds (distance) C4'-P energy: -65.905
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -71.138
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: 14.697
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: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -350.445026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.445026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.445026 (E_RNA)
where:
Base-Base interactions energy: -119.142
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.048
local terms energy: -231.254683
where:
bonds (distance) C4'-P energy: -66.800
bonds (distance) P-C4' energy: -68.403
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -38.414
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -333.391759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.391759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.391759 (E_RNA)
where:
Base-Base interactions energy: -115.935
where: short stacking energy: -92.593
Base-Backbone interact. energy: -0.051
local terms energy: -217.405902
where:
bonds (distance) C4'-P energy: -68.980
bonds (distance) P-C4' energy: -70.787
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: 20.540
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: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -985.186082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.186082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.186082 (E_RNA)
where:
Base-Base interactions energy: -594.664
where: short stacking energy: -306.686
Base-Backbone interact. energy: -1.569
local terms energy: -388.953198
where:
bonds (distance) C4'-P energy: -93.858
bonds (distance) P-C4' energy: -76.569
flat angles C4'-P-C4' energy: -80.262
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -83.085
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: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -985.104399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.104399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.104399 (E_RNA)
where:
Base-Base interactions energy: -642.138
where: short stacking energy: -270.862
Base-Backbone interact. energy: 3.300
local terms energy: -346.266322
where:
bonds (distance) C4'-P energy: -75.782
bonds (distance) P-C4' energy: -74.816
flat angles C4'-P-C4' energy: -85.951
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -64.695
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -863.113783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.113783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.113783 (E_RNA)
where:
Base-Base interactions energy: -503.303
where: short stacking energy: -273.164
Base-Backbone interact. energy: -1.516
local terms energy: -358.295038
where:
bonds (distance) C4'-P energy: -74.893
bonds (distance) P-C4' energy: -81.143
flat angles C4'-P-C4' energy: -77.141
flat angles P-C4'-P energy: -49.673
tors. eta vs tors. theta energy: -75.445
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: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -753.166580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.166580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.166580 (E_RNA)
where:
Base-Base interactions energy: -412.147
where: short stacking energy: -239.577
Base-Backbone interact. energy: 0.069
local terms energy: -341.088002
where:
bonds (distance) C4'-P energy: -80.309
bonds (distance) P-C4' energy: -68.159
flat angles C4'-P-C4' energy: -84.603
flat angles P-C4'-P energy: -55.609
tors. eta vs tors. theta energy: -52.408
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: 11
Temperature: 1.100000
Total energy: -608.415232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.415232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.415232 (E_RNA)
where:
Base-Base interactions energy: -318.820
where: short stacking energy: -208.564
Base-Backbone interact. energy: 1.191
local terms energy: -290.785761
where:
bonds (distance) C4'-P energy: -76.838
bonds (distance) P-C4' energy: -65.963
flat angles C4'-P-C4' energy: -67.091
flat angles P-C4'-P energy: -35.889
tors. eta vs tors. theta energy: -45.005
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: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -517.508124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.508124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.508124 (E_RNA)
where:
Base-Base interactions energy: -241.842
where: short stacking energy: -149.376
Base-Backbone interact. energy: 1.287
local terms energy: -276.953265
where:
bonds (distance) C4'-P energy: -66.731
bonds (distance) P-C4' energy: -78.561
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: -16.629
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: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -496.938943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.938943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.938943 (E_RNA)
where:
Base-Base interactions energy: -236.255
where: short stacking energy: -147.193
Base-Backbone interact. energy: -1.244
local terms energy: -259.440091
where:
bonds (distance) C4'-P energy: -55.457
bonds (distance) P-C4' energy: -76.624
flat angles C4'-P-C4' energy: -62.286
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: -24.306
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: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -368.421016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.421016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.421016 (E_RNA)
where:
Base-Base interactions energy: -133.855
where: short stacking energy: -89.473
Base-Backbone interact. energy: -0.557
local terms energy: -234.009169
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -75.914
flat angles C4'-P-C4' energy: -63.916
flat angles P-C4'-P energy: -45.612
tors. eta vs tors. theta energy: 15.284
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: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -341.674955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.674955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.674955 (E_RNA)
where:
Base-Base interactions energy: -110.081
where: short stacking energy: -93.369
Base-Backbone interact. energy: 0.239
local terms energy: -231.833103
where:
bonds (distance) C4'-P energy: -66.734
bonds (distance) P-C4' energy: -78.732
flat angles C4'-P-C4' energy: -52.713
flat angles P-C4'-P energy: -40.001
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: 11
Temperature: 1.350000
Total energy: -315.516054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.516054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.516054 (E_RNA)
where:
Base-Base interactions energy: -120.839
where: short stacking energy: -93.328
Base-Backbone interact. energy: 2.032
local terms energy: -196.709510
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -67.392
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -29.623
tors. eta vs tors. theta energy: 10.611
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: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1033.101824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.101824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.101824 (E_RNA)
where:
Base-Base interactions energy: -644.690
where: short stacking energy: -267.138
Base-Backbone interact. energy: -2.123
local terms energy: -386.288548
where:
bonds (distance) C4'-P energy: -82.087
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -84.494
flat angles P-C4'-P energy: -52.582
tors. eta vs tors. theta energy: -75.137
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: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -946.634734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.634734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.634734 (E_RNA)
where:
Base-Base interactions energy: -605.327
where: short stacking energy: -275.497
Base-Backbone interact. energy: -2.082
local terms energy: -339.225284
where:
bonds (distance) C4'-P energy: -71.619
bonds (distance) P-C4' energy: -84.223
flat angles C4'-P-C4' energy: -79.199
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -70.025
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: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -870.704882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.704882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.704882 (E_RNA)
where:
Base-Base interactions energy: -512.404
where: short stacking energy: -276.889
Base-Backbone interact. energy: -1.661
local terms energy: -356.638932
where:
bonds (distance) C4'-P energy: -82.683
bonds (distance) P-C4' energy: -82.445
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -64.369
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -719.777738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.777738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.777738 (E_RNA)
where:
Base-Base interactions energy: -407.592
where: short stacking energy: -207.660
Base-Backbone interact. energy: 4.235
local terms energy: -316.421245
where:
bonds (distance) C4'-P energy: -84.753
bonds (distance) P-C4' energy: -83.964
flat angles C4'-P-C4' energy: -71.603
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -42.880
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: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -534.410764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.410764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.410764 (E_RNA)
where:
Base-Base interactions energy: -236.677
where: short stacking energy: -176.108
Base-Backbone interact. energy: -4.352
local terms energy: -293.382115
where:
bonds (distance) C4'-P energy: -61.450
bonds (distance) P-C4' energy: -77.382
flat angles C4'-P-C4' energy: -70.704
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -32.030
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: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -520.683600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.683600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.683600 (E_RNA)
where:
Base-Base interactions energy: -218.047
where: short stacking energy: -145.762
Base-Backbone interact. energy: -0.978
local terms energy: -301.658305
where:
bonds (distance) C4'-P energy: -76.527
bonds (distance) P-C4' energy: -82.795
flat angles C4'-P-C4' energy: -82.452
flat angles P-C4'-P energy: -44.746
tors. eta vs tors. theta energy: -15.138
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: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -410.836525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.836525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.836525 (E_RNA)
where:
Base-Base interactions energy: -157.272
where: short stacking energy: -120.336
Base-Backbone interact. energy: -0.474
local terms energy: -253.090628
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -74.857
flat angles C4'-P-C4' energy: -66.823
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -2.593
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -407.781607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.781607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.781607 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -89.630
Base-Backbone interact. energy: -2.527
local terms energy: -262.090882
where:
bonds (distance) C4'-P energy: -77.785
bonds (distance) P-C4' energy: -79.999
flat angles C4'-P-C4' energy: -56.953
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -5.869
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: 12
Temperature: 1.300000
Total energy: -332.133123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.133123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.133123 (E_RNA)
where:
Base-Base interactions energy: -102.645
where: short stacking energy: -91.614
Base-Backbone interact. energy: 2.768
local terms energy: -232.256258
where:
bonds (distance) C4'-P energy: -70.936
bonds (distance) P-C4' energy: -79.875
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -25.526
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)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -316.314368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.314368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.314368 (E_RNA)
where:
Base-Base interactions energy: -87.686
where: short stacking energy: -79.919
Base-Backbone interact. energy: -1.224
local terms energy: -227.404742
where:
bonds (distance) C4'-P energy: -75.273
bonds (distance) P-C4' energy: -65.756
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: 8.021
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: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1070.270535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.270535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.270535 (E_RNA)
where:
Base-Base interactions energy: -676.863
where: short stacking energy: -290.886
Base-Backbone interact. energy: -2.412
local terms energy: -390.995845
where:
bonds (distance) C4'-P energy: -84.561
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -87.231
flat angles P-C4'-P energy: -64.389
tors. eta vs tors. theta energy: -74.703
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: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1006.633680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.633680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.633680 (E_RNA)
where:
Base-Base interactions energy: -643.225
where: short stacking energy: -287.208
Base-Backbone interact. energy: -2.203
local terms energy: -361.206495
where:
bonds (distance) C4'-P energy: -90.740
bonds (distance) P-C4' energy: -76.138
flat angles C4'-P-C4' energy: -76.651
flat angles P-C4'-P energy: -46.337
tors. eta vs tors. theta energy: -71.339
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: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -868.178565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.178565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.178565 (E_RNA)
where:
Base-Base interactions energy: -528.385
where: short stacking energy: -304.407
Base-Backbone interact. energy: -1.334
local terms energy: -338.458737
where:
bonds (distance) C4'-P energy: -67.822
bonds (distance) P-C4' energy: -72.942
flat angles C4'-P-C4' energy: -79.305
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -74.140
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -768.043927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.043927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.043927 (E_RNA)
where:
Base-Base interactions energy: -429.814
where: short stacking energy: -233.567
Base-Backbone interact. energy: -2.521
local terms energy: -335.708880
where:
bonds (distance) C4'-P energy: -75.696
bonds (distance) P-C4' energy: -80.935
flat angles C4'-P-C4' energy: -78.059
flat angles P-C4'-P energy: -48.381
tors. eta vs tors. theta energy: -52.639
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: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -651.858106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.858106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.858106 (E_RNA)
where:
Base-Base interactions energy: -351.555
where: short stacking energy: -193.001
Base-Backbone interact. energy: -0.514
local terms energy: -299.788913
where:
bonds (distance) C4'-P energy: -71.873
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -74.575
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -31.700
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -580.331873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.331873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.331873 (E_RNA)
where:
Base-Base interactions energy: -302.472
where: short stacking energy: -178.970
Base-Backbone interact. energy: -0.661
local terms energy: -277.198738
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -74.459
flat angles C4'-P-C4' energy: -71.703
flat angles P-C4'-P energy: -42.918
tors. eta vs tors. theta energy: -23.804
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: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -436.588887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.588887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.588887 (E_RNA)
where:
Base-Base interactions energy: -189.569
where: short stacking energy: -121.728
Base-Backbone interact. energy: -1.423
local terms energy: -245.596874
where:
bonds (distance) C4'-P energy: -68.732
bonds (distance) P-C4' energy: -77.634
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -5.463
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -389.992519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.992519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.992519 (E_RNA)
where:
Base-Base interactions energy: -153.647
where: short stacking energy: -102.860
Base-Backbone interact. energy: -2.507
local terms energy: -233.837984
where:
bonds (distance) C4'-P energy: -63.046
bonds (distance) P-C4' energy: -66.763
flat angles C4'-P-C4' energy: -67.422
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -9.916
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: 13
Temperature: 1.300000
Total energy: -340.873378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.873378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.873378 (E_RNA)
where:
Base-Base interactions energy: -117.735
where: short stacking energy: -83.462
Base-Backbone interact. energy: -0.611
local terms energy: -222.526907
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -69.205
flat angles C4'-P-C4' energy: -70.842
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: 11.376
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: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -310.848710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.848710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.848710 (E_RNA)
where:
Base-Base interactions energy: -95.772
where: short stacking energy: -74.925
Base-Backbone interact. energy: -2.558
local terms energy: -212.518679
where:
bonds (distance) C4'-P energy: -65.577
bonds (distance) P-C4' energy: -79.544
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: 2.623
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: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1036.077814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.077814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.077814 (E_RNA)
where:
Base-Base interactions energy: -681.057
where: short stacking energy: -287.360
Base-Backbone interact. energy: -0.652
local terms energy: -354.369176
where:
bonds (distance) C4'-P energy: -80.612
bonds (distance) P-C4' energy: -80.459
flat angles C4'-P-C4' energy: -71.041
flat angles P-C4'-P energy: -53.509
tors. eta vs tors. theta energy: -68.749
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: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1071.101774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.101774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.101774 (E_RNA)
where:
Base-Base interactions energy: -713.688
where: short stacking energy: -310.931
Base-Backbone interact. energy: -2.355
local terms energy: -355.058553
where:
bonds (distance) C4'-P energy: -73.343
bonds (distance) P-C4' energy: -76.494
flat angles C4'-P-C4' energy: -84.472
flat angles P-C4'-P energy: -42.425
tors. eta vs tors. theta energy: -78.324
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: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -903.672988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.672988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.672988 (E_RNA)
where:
Base-Base interactions energy: -572.574
where: short stacking energy: -314.249
Base-Backbone interact. energy: -0.825
local terms energy: -330.273085
where:
bonds (distance) C4'-P energy: -61.971
bonds (distance) P-C4' energy: -70.027
flat angles C4'-P-C4' energy: -72.574
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -83.958
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -801.862906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.862906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.862906 (E_RNA)
where:
Base-Base interactions energy: -483.097
where: short stacking energy: -239.790
Base-Backbone interact. energy: -2.099
local terms energy: -316.666646
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -75.711
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -57.876
tors. eta vs tors. theta energy: -47.001
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: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -652.165175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.165175 (E_RNA)
where:
Base-Base interactions energy: -353.129
where: short stacking energy: -185.471
Base-Backbone interact. energy: -0.793
local terms energy: -298.243048
where:
bonds (distance) C4'-P energy: -74.036
bonds (distance) P-C4' energy: -75.408
flat angles C4'-P-C4' energy: -62.699
flat angles P-C4'-P energy: -58.065
tors. eta vs tors. theta energy: -28.035
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: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -586.470041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.470041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.470041 (E_RNA)
where:
Base-Base interactions energy: -315.028
where: short stacking energy: -178.114
Base-Backbone interact. energy: 0.628
local terms energy: -272.070048
where:
bonds (distance) C4'-P energy: -71.895
bonds (distance) P-C4' energy: -71.716
flat angles C4'-P-C4' energy: -68.480
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -27.589
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: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -384.379947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.379947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.379947 (E_RNA)
where:
Base-Base interactions energy: -149.860
where: short stacking energy: -110.361
Base-Backbone interact. energy: -1.294
local terms energy: -233.225800
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -82.916
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -10.430
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: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -410.170012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.170012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.170012 (E_RNA)
where:
Base-Base interactions energy: -171.048
where: short stacking energy: -132.208
Base-Backbone interact. energy: -0.487
local terms energy: -238.635177
where:
bonds (distance) C4'-P energy: -62.576
bonds (distance) P-C4' energy: -64.883
flat angles C4'-P-C4' energy: -53.912
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -13.268
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: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -375.570977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.570977 (E_RNA)
where:
Base-Base interactions energy: -138.696
where: short stacking energy: -99.997
Base-Backbone interact. energy: -1.364
local terms energy: -235.510615
where:
bonds (distance) C4'-P energy: -64.438
bonds (distance) P-C4' energy: -65.767
flat angles C4'-P-C4' energy: -67.977
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: -6.679
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: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -322.245347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.245347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.245347 (E_RNA)
where:
Base-Base interactions energy: -115.836
where: short stacking energy: -108.832
Base-Backbone interact. energy: -0.361
local terms energy: -206.048123
where:
bonds (distance) C4'-P energy: -59.273
bonds (distance) P-C4' energy: -68.636
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: 2.901
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: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1065.086074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.086074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.086074 (E_RNA)
where:
Base-Base interactions energy: -679.278
where: short stacking energy: -313.786
Base-Backbone interact. energy: -0.089
local terms energy: -385.718245
where:
bonds (distance) C4'-P energy: -74.560
bonds (distance) P-C4' energy: -84.912
flat angles C4'-P-C4' energy: -85.352
flat angles P-C4'-P energy: -59.896
tors. eta vs tors. theta energy: -80.999
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: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1061.307684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.307684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.307684 (E_RNA)
where:
Base-Base interactions energy: -692.165
where: short stacking energy: -291.777
Base-Backbone interact. energy: -3.026
local terms energy: -366.116491
where:
bonds (distance) C4'-P energy: -82.746
bonds (distance) P-C4' energy: -76.666
flat angles C4'-P-C4' energy: -82.351
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -75.666
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: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -886.979939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.979939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.979939 (E_RNA)
where:
Base-Base interactions energy: -545.431
where: short stacking energy: -288.064
Base-Backbone interact. energy: 2.008
local terms energy: -343.557611
where:
bonds (distance) C4'-P energy: -79.258
bonds (distance) P-C4' energy: -66.885
flat angles C4'-P-C4' energy: -71.736
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -71.356
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -711.888892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.888892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.888892 (E_RNA)
where:
Base-Base interactions energy: -388.738
where: short stacking energy: -214.308
Base-Backbone interact. energy: -3.732
local terms energy: -319.419407
where:
bonds (distance) C4'-P energy: -76.703
bonds (distance) P-C4' energy: -83.336
flat angles C4'-P-C4' energy: -67.934
flat angles P-C4'-P energy: -51.727
tors. eta vs tors. theta energy: -39.720
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: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -641.920026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.920026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.920026 (E_RNA)
where:
Base-Base interactions energy: -347.542
where: short stacking energy: -213.256
Base-Backbone interact. energy: 1.570
local terms energy: -295.948058
where:
bonds (distance) C4'-P energy: -67.352
bonds (distance) P-C4' energy: -69.524
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -51.275
tors. eta vs tors. theta energy: -37.163
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: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -530.085194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.085194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.085194 (E_RNA)
where:
Base-Base interactions energy: -265.839
where: short stacking energy: -173.692
Base-Backbone interact. energy: -1.343
local terms energy: -262.903183
where:
bonds (distance) C4'-P energy: -64.195
bonds (distance) P-C4' energy: -63.359
flat angles C4'-P-C4' energy: -69.563
flat angles P-C4'-P energy: -45.941
tors. eta vs tors. theta energy: -19.845
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: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -509.357274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.357274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.357274 (E_RNA)
where:
Base-Base interactions energy: -251.286
where: short stacking energy: -148.395
Base-Backbone interact. energy: -0.094
local terms energy: -257.976878
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -60.349
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -18.832
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: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -381.729476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.729476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.729476 (E_RNA)
where:
Base-Base interactions energy: -156.472
where: short stacking energy: -121.162
Base-Backbone interact. energy: -0.535
local terms energy: -224.723005
where:
bonds (distance) C4'-P energy: -62.028
bonds (distance) P-C4' energy: -68.888
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -29.638
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)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -356.317519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.317519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.317519 (E_RNA)
where:
Base-Base interactions energy: -152.120
where: short stacking energy: -91.740
Base-Backbone interact. energy: 0.891
local terms energy: -205.089069
where:
bonds (distance) C4'-P energy: -61.429
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -56.243
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: 14.611
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: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -327.125765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.125765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.125765 (E_RNA)
where:
Base-Base interactions energy: -109.350
where: short stacking energy: -89.043
Base-Backbone interact. energy: 0.556
local terms energy: -218.331582
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -68.388
flat angles C4'-P-C4' energy: -69.376
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: 15.752
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: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1102.375346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.375346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.375346 (E_RNA)
where:
Base-Base interactions energy: -725.381
where: short stacking energy: -327.184
Base-Backbone interact. energy: -1.768
local terms energy: -375.226430
where:
bonds (distance) C4'-P energy: -80.329
bonds (distance) P-C4' energy: -82.395
flat angles C4'-P-C4' energy: -88.560
flat angles P-C4'-P energy: -48.385
tors. eta vs tors. theta energy: -75.557
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: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1065.813971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.813971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.813971 (E_RNA)
where:
Base-Base interactions energy: -705.976
where: short stacking energy: -292.042
Base-Backbone interact. energy: 2.305
local terms energy: -362.142727
where:
bonds (distance) C4'-P energy: -66.172
bonds (distance) P-C4' energy: -83.441
flat angles C4'-P-C4' energy: -82.544
flat angles P-C4'-P energy: -50.921
tors. eta vs tors. theta energy: -79.066
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: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -895.924916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.924916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.924916 (E_RNA)
where:
Base-Base interactions energy: -562.158
where: short stacking energy: -256.802
Base-Backbone interact. energy: -3.213
local terms energy: -330.553701
where:
bonds (distance) C4'-P energy: -73.552
bonds (distance) P-C4' energy: -76.624
flat angles C4'-P-C4' energy: -70.754
flat angles P-C4'-P energy: -54.100
tors. eta vs tors. theta energy: -55.524
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: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -693.538099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.538099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.538099 (E_RNA)
where:
Base-Base interactions energy: -376.962
where: short stacking energy: -222.640
Base-Backbone interact. energy: 2.506
local terms energy: -319.082361
where:
bonds (distance) C4'-P energy: -78.923
bonds (distance) P-C4' energy: -69.145
flat angles C4'-P-C4' energy: -71.357
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -48.051
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: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -627.987281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.987281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.987281 (E_RNA)
where:
Base-Base interactions energy: -331.312
where: short stacking energy: -178.600
Base-Backbone interact. energy: -1.866
local terms energy: -294.809268
where:
bonds (distance) C4'-P energy: -57.434
bonds (distance) P-C4' energy: -81.799
flat angles C4'-P-C4' energy: -76.517
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -27.796
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: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -602.227372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.227372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.227372 (E_RNA)
where:
Base-Base interactions energy: -327.369
where: short stacking energy: -176.900
Base-Backbone interact. energy: -1.397
local terms energy: -273.461092
where:
bonds (distance) C4'-P energy: -68.186
bonds (distance) P-C4' energy: -76.018
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -34.410
tors. eta vs tors. theta energy: -24.583
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: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -507.857033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.857033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.857033 (E_RNA)
where:
Base-Base interactions energy: -251.438
where: short stacking energy: -165.090
Base-Backbone interact. energy: -0.584
local terms energy: -255.835577
where:
bonds (distance) C4'-P energy: -76.197
bonds (distance) P-C4' energy: -63.198
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -20.330
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: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -353.307971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.307971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.307971 (E_RNA)
where:
Base-Base interactions energy: -113.277
where: short stacking energy: -99.692
Base-Backbone interact. energy: 0.200
local terms energy: -240.230412
where:
bonds (distance) C4'-P energy: -63.289
bonds (distance) P-C4' energy: -74.504
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -49.631
tors. eta vs tors. theta energy: 3.825
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -325.809718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.809718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.809718 (E_RNA)
where:
Base-Base interactions energy: -102.443
where: short stacking energy: -92.366
Base-Backbone interact. energy: 0.631
local terms energy: -223.998125
where:
bonds (distance) C4'-P energy: -66.996
bonds (distance) P-C4' energy: -68.188
flat angles C4'-P-C4' energy: -70.269
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: 11.619
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: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -314.263042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.263042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.263042 (E_RNA)
where:
Base-Base interactions energy: -83.863
where: short stacking energy: -75.375
Base-Backbone interact. energy: -0.113
local terms energy: -230.287455
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -76.733
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: 8.860
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: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1078.583307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.583307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.583307 (E_RNA)
where:
Base-Base interactions energy: -710.844
where: short stacking energy: -302.342
Base-Backbone interact. energy: -0.203
local terms energy: -367.535884
where:
bonds (distance) C4'-P energy: -81.852
bonds (distance) P-C4' energy: -75.378
flat angles C4'-P-C4' energy: -78.513
flat angles P-C4'-P energy: -59.535
tors. eta vs tors. theta energy: -72.258
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: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1054.934990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.934990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.934990 (E_RNA)
where:
Base-Base interactions energy: -689.047
where: short stacking energy: -311.292
Base-Backbone interact. energy: -3.848
local terms energy: -362.040388
where:
bonds (distance) C4'-P energy: -71.886
bonds (distance) P-C4' energy: -85.938
flat angles C4'-P-C4' energy: -74.799
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -78.934
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: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -964.545959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.545959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.545959 (E_RNA)
where:
Base-Base interactions energy: -594.867
where: short stacking energy: -309.077
Base-Backbone interact. energy: 0.215
local terms energy: -369.894087
where:
bonds (distance) C4'-P energy: -68.589
bonds (distance) P-C4' energy: -79.929
flat angles C4'-P-C4' energy: -81.053
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -87.655
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: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -711.957462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.957462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.957462 (E_RNA)
where:
Base-Base interactions energy: -402.849
where: short stacking energy: -219.960
Base-Backbone interact. energy: -1.120
local terms energy: -307.988538
where:
bonds (distance) C4'-P energy: -68.867
bonds (distance) P-C4' energy: -78.090
flat angles C4'-P-C4' energy: -69.405
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -44.209
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: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -628.199984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.199984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.199984 (E_RNA)
where:
Base-Base interactions energy: -360.883
where: short stacking energy: -165.685
Base-Backbone interact. energy: -3.002
local terms energy: -264.315534
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -74.841
flat angles C4'-P-C4' energy: -78.324
flat angles P-C4'-P energy: -27.996
tors. eta vs tors. theta energy: -25.968
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: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -623.774420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.774420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.774420 (E_RNA)
where:
Base-Base interactions energy: -341.331
where: short stacking energy: -169.435
Base-Backbone interact. energy: -2.192
local terms energy: -280.251859
where:
bonds (distance) C4'-P energy: -59.399
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -68.186
flat angles P-C4'-P energy: -50.608
tors. eta vs tors. theta energy: -32.333
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)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -502.385931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.385931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.385931 (E_RNA)
where:
Base-Base interactions energy: -244.591
where: short stacking energy: -145.259
Base-Backbone interact. energy: 0.677
local terms energy: -258.472421
where:
bonds (distance) C4'-P energy: -67.129
bonds (distance) P-C4' energy: -70.491
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -51.094
tors. eta vs tors. theta energy: -6.255
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: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -385.694778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.694778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.694778 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -116.957
Base-Backbone interact. energy: 0.376
local terms energy: -238.341148
where:
bonds (distance) C4'-P energy: -66.746
bonds (distance) P-C4' energy: -65.664
flat angles C4'-P-C4' energy: -53.164
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: -3.930
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: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -347.729994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.729994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.729994 (E_RNA)
where:
Base-Base interactions energy: -133.853
where: short stacking energy: -94.728
Base-Backbone interact. energy: 0.254
local terms energy: -214.131442
where:
bonds (distance) C4'-P energy: -61.234
bonds (distance) P-C4' energy: -71.587
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -45.602
tors. eta vs tors. theta energy: 20.917
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: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -335.990774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.990774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.990774 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -89.318
Base-Backbone interact. energy: 0.989
local terms energy: -215.364438
where:
bonds (distance) C4'-P energy: -68.417
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -68.089
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: 9.186
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: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1161.715988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.715988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.715988 (E_RNA)
where:
Base-Base interactions energy: -798.844
where: short stacking energy: -339.594
Base-Backbone interact. energy: 0.402
local terms energy: -363.274822
where:
bonds (distance) C4'-P energy: -65.257
bonds (distance) P-C4' energy: -82.767
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -52.546
tors. eta vs tors. theta energy: -80.383
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: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1021.370412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.370412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.370412 (E_RNA)
where:
Base-Base interactions energy: -644.693
where: short stacking energy: -289.306
Base-Backbone interact. energy: -2.659
local terms energy: -374.018752
where:
bonds (distance) C4'-P energy: -77.926
bonds (distance) P-C4' energy: -77.852
flat angles C4'-P-C4' energy: -90.255
flat angles P-C4'-P energy: -57.222
tors. eta vs tors. theta energy: -70.763
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: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -973.872781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.872781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.872781 (E_RNA)
where:
Base-Base interactions energy: -596.912
where: short stacking energy: -285.908
Base-Backbone interact. energy: 0.036
local terms energy: -376.996186
where:
bonds (distance) C4'-P energy: -77.253
bonds (distance) P-C4' energy: -76.289
flat angles C4'-P-C4' energy: -86.460
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -79.317
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: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -715.101886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.101886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.101886 (E_RNA)
where:
Base-Base interactions energy: -387.050
where: short stacking energy: -214.261
Base-Backbone interact. energy: -1.499
local terms energy: -326.553130
where:
bonds (distance) C4'-P energy: -78.928
bonds (distance) P-C4' energy: -65.497
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -55.169
tors. eta vs tors. theta energy: -48.830
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: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -723.573671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.573671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.573671 (E_RNA)
where:
Base-Base interactions energy: -455.684
where: short stacking energy: -206.027
Base-Backbone interact. energy: -3.962
local terms energy: -263.927637
where:
bonds (distance) C4'-P energy: -59.407
bonds (distance) P-C4' energy: -69.379
flat angles C4'-P-C4' energy: -64.334
flat angles P-C4'-P energy: -40.155
tors. eta vs tors. theta energy: -30.652
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: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -768.117817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.117817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.117817 (E_RNA)
where:
Base-Base interactions energy: -468.186
where: short stacking energy: -237.216
Base-Backbone interact. energy: 3.388
local terms energy: -303.320475
where:
bonds (distance) C4'-P energy: -68.174
bonds (distance) P-C4' energy: -76.917
flat angles C4'-P-C4' energy: -62.052
flat angles P-C4'-P energy: -43.869
tors. eta vs tors. theta energy: -52.309
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: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -477.707681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.707681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.707681 (E_RNA)
where:
Base-Base interactions energy: -227.268
where: short stacking energy: -131.307
Base-Backbone interact. energy: -0.107
local terms energy: -250.332523
where:
bonds (distance) C4'-P energy: -76.460
bonds (distance) P-C4' energy: -67.306
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -5.370
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: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -413.045659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.045659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.045659 (E_RNA)
where:
Base-Base interactions energy: -164.461
where: short stacking energy: -123.282
Base-Backbone interact. energy: -0.686
local terms energy: -247.898695
where:
bonds (distance) C4'-P energy: -73.669
bonds (distance) P-C4' energy: -68.102
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -12.694
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: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -353.058316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.058316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.058316 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -105.465
Base-Backbone interact. energy: 1.047
local terms energy: -218.800884
where:
bonds (distance) C4'-P energy: -72.461
bonds (distance) P-C4' energy: -73.770
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -39.819
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: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -321.443616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.443616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.443616 (E_RNA)
where:
Base-Base interactions energy: -110.223
where: short stacking energy: -75.397
Base-Backbone interact. energy: 7.478
local terms energy: -218.698167
where:
bonds (distance) C4'-P energy: -59.943
bonds (distance) P-C4' energy: -80.075
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -42.375
tors. eta vs tors. theta energy: 22.285
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: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1151.858810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.858810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.858810 (E_RNA)
where:
Base-Base interactions energy: -767.763
where: short stacking energy: -311.536
Base-Backbone interact. energy: -2.308
local terms energy: -381.787806
where:
bonds (distance) C4'-P energy: -80.791
bonds (distance) P-C4' energy: -88.781
flat angles C4'-P-C4' energy: -79.336
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -81.530
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: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1065.127548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.127548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.127548 (E_RNA)
where:
Base-Base interactions energy: -695.356
where: short stacking energy: -303.270
Base-Backbone interact. energy: -6.197
local terms energy: -363.574462
where:
bonds (distance) C4'-P energy: -69.505
bonds (distance) P-C4' energy: -85.169
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -39.480
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: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -932.873572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.873572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.873572 (E_RNA)
where:
Base-Base interactions energy: -558.546
where: short stacking energy: -290.229
Base-Backbone interact. energy: 0.336
local terms energy: -374.663333
where:
bonds (distance) C4'-P energy: -76.535
bonds (distance) P-C4' energy: -73.733
flat angles C4'-P-C4' energy: -76.281
flat angles P-C4'-P energy: -63.959
tors. eta vs tors. theta energy: -84.155
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: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -776.400899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.400899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.400899 (E_RNA)
where:
Base-Base interactions energy: -475.367
where: short stacking energy: -229.967
Base-Backbone interact. energy: -0.864
local terms energy: -300.170463
where:
bonds (distance) C4'-P energy: -72.276
bonds (distance) P-C4' energy: -77.396
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -40.777
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -709.044891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.044891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.044891 (E_RNA)
where:
Base-Base interactions energy: -404.253
where: short stacking energy: -194.826
Base-Backbone interact. energy: 6.025
local terms energy: -310.817180
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -77.141
flat angles C4'-P-C4' energy: -70.336
flat angles P-C4'-P energy: -46.979
tors. eta vs tors. theta energy: -36.688
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: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -726.561887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.561887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.561887 (E_RNA)
where:
Base-Base interactions energy: -439.604
where: short stacking energy: -203.982
Base-Backbone interact. energy: -0.858
local terms energy: -286.099567
where:
bonds (distance) C4'-P energy: -72.363
bonds (distance) P-C4' energy: -76.942
flat angles C4'-P-C4' energy: -55.961
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -33.958
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: 7, replica: 9
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -447.162406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.162406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.162406 (E_RNA)
where:
Base-Base interactions energy: -196.074
where: short stacking energy: -118.299
Base-Backbone interact. energy: -0.431
local terms energy: -250.657575
where:
bonds (distance) C4'-P energy: -68.553
bonds (distance) P-C4' energy: -80.982
flat angles C4'-P-C4' energy: -64.852
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: 2.692
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: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -381.528080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.528080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.528080 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -112.733
Base-Backbone interact. energy: 3.276
local terms energy: -244.794522
where:
bonds (distance) C4'-P energy: -74.034
bonds (distance) P-C4' energy: -84.418
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: 1.520
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: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -355.472924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.472924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.472924 (E_RNA)
where:
Base-Base interactions energy: -135.456
where: short stacking energy: -92.140
Base-Backbone interact. energy: -1.004
local terms energy: -219.012315
where:
bonds (distance) C4'-P energy: -72.347
bonds (distance) P-C4' energy: -74.920
flat angles C4'-P-C4' energy: -52.376
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: 6.733
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: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -322.956242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.956242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.956242 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -96.379
Base-Backbone interact. energy: -0.562
local terms energy: -197.784045
where:
bonds (distance) C4'-P energy: -63.117
bonds (distance) P-C4' energy: -61.312
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -28.383
tors. eta vs tors. theta energy: 8.882
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1165.666273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.666273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.666273 (E_RNA)
where:
Base-Base interactions energy: -761.974
where: short stacking energy: -324.588
Base-Backbone interact. energy: -2.544
local terms energy: -401.148920
where:
bonds (distance) C4'-P energy: -90.840
bonds (distance) P-C4' energy: -91.971
flat angles C4'-P-C4' energy: -84.466
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: -89.943
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1060.897251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.897251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.897251 (E_RNA)
where:
Base-Base interactions energy: -689.308
where: short stacking energy: -279.770
Base-Backbone interact. energy: -4.348
local terms energy: -367.240776
where:
bonds (distance) C4'-P energy: -82.256
bonds (distance) P-C4' energy: -76.787
flat angles C4'-P-C4' energy: -83.211
flat angles P-C4'-P energy: -48.296
tors. eta vs tors. theta energy: -76.691
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -938.894622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.894622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.894622 (E_RNA)
where:
Base-Base interactions energy: -559.849
where: short stacking energy: -300.855
Base-Backbone interact. energy: -1.140
local terms energy: -377.905503
where:
bonds (distance) C4'-P energy: -80.168
bonds (distance) P-C4' energy: -72.411
flat angles C4'-P-C4' energy: -82.259
flat angles P-C4'-P energy: -60.763
tors. eta vs tors. theta energy: -82.305
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: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -836.607943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.607943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.607943 (E_RNA)
where:
Base-Base interactions energy: -510.223
where: short stacking energy: -255.261
Base-Backbone interact. energy: 2.426
local terms energy: -328.810776
where:
bonds (distance) C4'-P energy: -73.898
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -70.170
flat angles P-C4'-P energy: -59.463
tors. eta vs tors. theta energy: -59.014
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: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -687.242419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.242419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.242419 (E_RNA)
where:
Base-Base interactions energy: -390.951
where: short stacking energy: -234.126
Base-Backbone interact. energy: 2.651
local terms energy: -298.941763
where:
bonds (distance) C4'-P energy: -63.106
bonds (distance) P-C4' energy: -71.082
flat angles C4'-P-C4' energy: -71.524
flat angles P-C4'-P energy: -47.546
tors. eta vs tors. theta energy: -45.683
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -772.826994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.826994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.826994 (E_RNA)
where:
Base-Base interactions energy: -442.262
where: short stacking energy: -208.191
Base-Backbone interact. energy: 0.433
local terms energy: -330.997919
where:
bonds (distance) C4'-P energy: -76.252
bonds (distance) P-C4' energy: -84.941
flat angles C4'-P-C4' energy: -77.312
flat angles P-C4'-P energy: -47.333
tors. eta vs tors. theta energy: -45.160
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: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -463.999506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.999506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.999506 (E_RNA)
where:
Base-Base interactions energy: -210.173
where: short stacking energy: -145.664
Base-Backbone interact. energy: 7.508
local terms energy: -261.334982
where:
bonds (distance) C4'-P energy: -70.825
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -72.860
flat angles P-C4'-P energy: -28.853
tors. eta vs tors. theta energy: -22.011
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: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -411.145603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.145603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.145603 (E_RNA)
where:
Base-Base interactions energy: -173.808
where: short stacking energy: -111.878
Base-Backbone interact. energy: 0.982
local terms energy: -238.319442
where:
bonds (distance) C4'-P energy: -75.457
bonds (distance) P-C4' energy: -67.481
flat angles C4'-P-C4' energy: -68.068
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: 4.255
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: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -370.827568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.827568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.827568 (E_RNA)
where:
Base-Base interactions energy: -145.829
where: short stacking energy: -118.960
Base-Backbone interact. energy: 1.496
local terms energy: -226.494706
where:
bonds (distance) C4'-P energy: -54.915
bonds (distance) P-C4' energy: -74.030
flat angles C4'-P-C4' energy: -63.635
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -4.910
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -309.242468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.242468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.242468 (E_RNA)
where:
Base-Base interactions energy: -124.906
where: short stacking energy: -90.410
Base-Backbone interact. energy: 0.332
local terms energy: -184.667741
where:
bonds (distance) C4'-P energy: -62.796
bonds (distance) P-C4' energy: -65.888
flat angles C4'-P-C4' energy: -51.198
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: 29.914
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: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1167.942419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.942419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.942419 (E_RNA)
where:
Base-Base interactions energy: -791.047
where: short stacking energy: -330.294
Base-Backbone interact. energy: -1.666
local terms energy: -375.229859
where:
bonds (distance) C4'-P energy: -70.991
bonds (distance) P-C4' energy: -82.798
flat angles C4'-P-C4' energy: -87.803
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -88.903
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1045.771119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.771119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.771119 (E_RNA)
where:
Base-Base interactions energy: -680.731
where: short stacking energy: -282.625
Base-Backbone interact. energy: -4.016
local terms energy: -361.023692
where:
bonds (distance) C4'-P energy: -74.705
bonds (distance) P-C4' energy: -76.693
flat angles C4'-P-C4' energy: -80.415
flat angles P-C4'-P energy: -56.813
tors. eta vs tors. theta energy: -72.398
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: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -947.474133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.474133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.474133 (E_RNA)
where:
Base-Base interactions energy: -582.674
where: short stacking energy: -307.828
Base-Backbone interact. energy: -1.124
local terms energy: -363.675714
where:
bonds (distance) C4'-P energy: -86.190
bonds (distance) P-C4' energy: -78.613
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -80.869
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: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -868.473290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.473290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.473290 (E_RNA)
where:
Base-Base interactions energy: -533.665
where: short stacking energy: -271.068
Base-Backbone interact. energy: -1.881
local terms energy: -332.927410
where:
bonds (distance) C4'-P energy: -67.891
bonds (distance) P-C4' energy: -81.130
flat angles C4'-P-C4' energy: -73.698
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -66.703
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: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -666.524901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.524901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.524901 (E_RNA)
where:
Base-Base interactions energy: -361.441
where: short stacking energy: -193.349
Base-Backbone interact. energy: -0.780
local terms energy: -304.303595
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -78.852
flat angles C4'-P-C4' energy: -81.329
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: -42.412
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -799.340805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.340805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.340805 (E_RNA)
where:
Base-Base interactions energy: -482.180
where: short stacking energy: -219.780
Base-Backbone interact. energy: -1.429
local terms energy: -315.731997
where:
bonds (distance) C4'-P energy: -67.613
bonds (distance) P-C4' energy: -87.959
flat angles C4'-P-C4' energy: -67.377
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -49.671
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: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -511.018950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.018950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.018950 (E_RNA)
where:
Base-Base interactions energy: -245.818
where: short stacking energy: -149.699
Base-Backbone interact. energy: -3.573
local terms energy: -261.627808
where:
bonds (distance) C4'-P energy: -70.127
bonds (distance) P-C4' energy: -66.281
flat angles C4'-P-C4' energy: -71.889
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -14.139
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: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -414.161621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.161621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.161621 (E_RNA)
where:
Base-Base interactions energy: -190.444
where: short stacking energy: -141.992
Base-Backbone interact. energy: 1.269
local terms energy: -224.986897
where:
bonds (distance) C4'-P energy: -63.631
bonds (distance) P-C4' energy: -67.547
flat angles C4'-P-C4' energy: -61.213
flat angles P-C4'-P energy: -29.460
tors. eta vs tors. theta energy: -3.136
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: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -347.020018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.020018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.020018 (E_RNA)
where:
Base-Base interactions energy: -131.001
where: short stacking energy: -101.323
Base-Backbone interact. energy: 1.698
local terms energy: -217.717402
where:
bonds (distance) C4'-P energy: -63.720
bonds (distance) P-C4' energy: -68.061
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -30.480
tors. eta vs tors. theta energy: 7.067
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: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -324.097139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.097139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.097139 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -91.407
Base-Backbone interact. energy: 4.255
local terms energy: -197.269874
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -58.534
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -34.270
tors. eta vs tors. theta energy: 13.691
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: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1166.038487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.038487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.038487 (E_RNA)
where:
Base-Base interactions energy: -785.511
where: short stacking energy: -350.986
Base-Backbone interact. energy: -3.764
local terms energy: -376.763279
where:
bonds (distance) C4'-P energy: -71.056
bonds (distance) P-C4' energy: -79.218
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -92.415
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: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1033.777542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.777542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.777542 (E_RNA)
where:
Base-Base interactions energy: -669.745
where: short stacking energy: -287.316
Base-Backbone interact. energy: -2.403
local terms energy: -361.629331
where:
bonds (distance) C4'-P energy: -70.406
bonds (distance) P-C4' energy: -77.541
flat angles C4'-P-C4' energy: -90.492
flat angles P-C4'-P energy: -55.600
tors. eta vs tors. theta energy: -67.589
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -902.159726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.159726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.159726 (E_RNA)
where:
Base-Base interactions energy: -534.576
where: short stacking energy: -275.560
Base-Backbone interact. energy: -1.713
local terms energy: -365.871133
where:
bonds (distance) C4'-P energy: -67.483
bonds (distance) P-C4' energy: -84.095
flat angles C4'-P-C4' energy: -89.259
flat angles P-C4'-P energy: -53.006
tors. eta vs tors. theta energy: -72.028
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: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -867.982946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.982946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.982946 (E_RNA)
where:
Base-Base interactions energy: -536.584
where: short stacking energy: -266.735
Base-Backbone interact. energy: 1.027
local terms energy: -332.425859
where:
bonds (distance) C4'-P energy: -70.925
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -78.353
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: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -831.927826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.927826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.927826 (E_RNA)
where:
Base-Base interactions energy: -502.896
where: short stacking energy: -219.597
Base-Backbone interact. energy: -2.382
local terms energy: -326.650112
where:
bonds (distance) C4'-P energy: -73.778
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -89.023
flat angles P-C4'-P energy: -61.252
tors. eta vs tors. theta energy: -32.628
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: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -663.547410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.547410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.547410 (E_RNA)
where:
Base-Base interactions energy: -378.412
where: short stacking energy: -193.741
Base-Backbone interact. energy: -0.431
local terms energy: -284.704402
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -67.585
flat angles C4'-P-C4' energy: -79.584
flat angles P-C4'-P energy: -40.812
tors. eta vs tors. theta energy: -29.378
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: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -522.457261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.457261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.457261 (E_RNA)
where:
Base-Base interactions energy: -263.228
where: short stacking energy: -157.677
Base-Backbone interact. energy: -0.471
local terms energy: -258.758547
where:
bonds (distance) C4'-P energy: -58.693
bonds (distance) P-C4' energy: -73.065
flat angles C4'-P-C4' energy: -69.286
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -22.864
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: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -392.392985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.392985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.392985 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -116.983
Base-Backbone interact. energy: 2.047
local terms energy: -240.997043
where:
bonds (distance) C4'-P energy: -67.121
bonds (distance) P-C4' energy: -70.436
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -41.651
tors. eta vs tors. theta energy: -2.753
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: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -361.968398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.968398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.968398 (E_RNA)
where:
Base-Base interactions energy: -129.529
where: short stacking energy: -99.173
Base-Backbone interact. energy: 0.534
local terms energy: -232.973431
where:
bonds (distance) C4'-P energy: -69.824
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -49.107
flat angles P-C4'-P energy: -38.299
tors. eta vs tors. theta energy: 2.290
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: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -308.995553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.995553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.995553 (E_RNA)
where:
Base-Base interactions energy: -96.515
where: short stacking energy: -88.543
Base-Backbone interact. energy: 3.700
local terms energy: -216.181007
where:
bonds (distance) C4'-P energy: -62.011
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -59.725
flat angles P-C4'-P energy: -30.460
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: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1180.185708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.185708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.185708 (E_RNA)
where:
Base-Base interactions energy: -786.458
where: short stacking energy: -333.744
Base-Backbone interact. energy: -4.355
local terms energy: -389.372885
where:
bonds (distance) C4'-P energy: -72.256
bonds (distance) P-C4' energy: -87.072
flat angles C4'-P-C4' energy: -85.905
flat angles P-C4'-P energy: -58.490
tors. eta vs tors. theta energy: -85.651
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: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1016.951501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.951501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.951501 (E_RNA)
where:
Base-Base interactions energy: -664.749
where: short stacking energy: -288.533
Base-Backbone interact. energy: -4.525
local terms energy: -347.677622
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -79.704
flat angles C4'-P-C4' energy: -75.005
flat angles P-C4'-P energy: -45.528
tors. eta vs tors. theta energy: -68.023
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: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -909.260957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.260957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.260957 (E_RNA)
where:
Base-Base interactions energy: -560.590
where: short stacking energy: -270.786
Base-Backbone interact. energy: -1.841
local terms energy: -346.830198
where:
bonds (distance) C4'-P energy: -71.631
bonds (distance) P-C4' energy: -79.294
flat angles C4'-P-C4' energy: -74.131
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -69.418
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: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -969.817389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.817389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.817389 (E_RNA)
where:
Base-Base interactions energy: -626.538
where: short stacking energy: -287.177
Base-Backbone interact. energy: -1.365
local terms energy: -341.914716
where:
bonds (distance) C4'-P energy: -69.672
bonds (distance) P-C4' energy: -73.520
flat angles C4'-P-C4' energy: -83.075
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -64.458
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: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -877.271449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.271449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.271449 (E_RNA)
where:
Base-Base interactions energy: -523.641
where: short stacking energy: -254.115
Base-Backbone interact. energy: -1.469
local terms energy: -352.161750
where:
bonds (distance) C4'-P energy: -70.585
bonds (distance) P-C4' energy: -80.336
flat angles C4'-P-C4' energy: -79.853
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -76.810
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: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -577.478369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.478369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.478369 (E_RNA)
where:
Base-Base interactions energy: -293.469
where: short stacking energy: -161.905
Base-Backbone interact. energy: -0.241
local terms energy: -283.768493
where:
bonds (distance) C4'-P energy: -64.846
bonds (distance) P-C4' energy: -69.913
flat angles C4'-P-C4' energy: -71.909
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -29.508
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: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -581.934773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.934773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.934773 (E_RNA)
where:
Base-Base interactions energy: -308.927
where: short stacking energy: -157.356
Base-Backbone interact. energy: -1.027
local terms energy: -271.981128
where:
bonds (distance) C4'-P energy: -68.744
bonds (distance) P-C4' energy: -71.750
flat angles C4'-P-C4' energy: -62.231
flat angles P-C4'-P energy: -53.474
tors. eta vs tors. theta energy: -15.782
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -369.842266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.842266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.842266 (E_RNA)
where:
Base-Base interactions energy: -149.039
where: short stacking energy: -116.263
Base-Backbone interact. energy: 2.758
local terms energy: -223.561928
where:
bonds (distance) C4'-P energy: -59.331
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -69.968
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: 9.529
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: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -412.407478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.407478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.407478 (E_RNA)
where:
Base-Base interactions energy: -159.333
where: short stacking energy: -110.307
Base-Backbone interact. energy: 1.965
local terms energy: -255.040050
where:
bonds (distance) C4'-P energy: -66.976
bonds (distance) P-C4' energy: -78.001
flat angles C4'-P-C4' energy: -59.505
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -10.605
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: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -319.949605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.949605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.949605 (E_RNA)
where:
Base-Base interactions energy: -104.325
where: short stacking energy: -83.119
Base-Backbone interact. energy: -0.126
local terms energy: -215.497824
where:
bonds (distance) C4'-P energy: -69.812
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: 4.978
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: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1203.541874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.541874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.541874 (E_RNA)
where:
Base-Base interactions energy: -805.981
where: short stacking energy: -334.857
Base-Backbone interact. energy: -3.267
local terms energy: -394.294225
where:
bonds (distance) C4'-P energy: -84.428
bonds (distance) P-C4' energy: -90.657
flat angles C4'-P-C4' energy: -79.480
flat angles P-C4'-P energy: -56.647
tors. eta vs tors. theta energy: -83.081
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1067.831833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.831833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.831833 (E_RNA)
where:
Base-Base interactions energy: -690.398
where: short stacking energy: -290.722
Base-Backbone interact. energy: -4.997
local terms energy: -372.436878
where:
bonds (distance) C4'-P energy: -78.591
bonds (distance) P-C4' energy: -88.889
flat angles C4'-P-C4' energy: -79.622
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -77.889
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: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1030.600870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.600870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.600870 (E_RNA)
where:
Base-Base interactions energy: -654.639
where: short stacking energy: -296.668
Base-Backbone interact. energy: -0.115
local terms energy: -375.847078
where:
bonds (distance) C4'-P energy: -75.261
bonds (distance) P-C4' energy: -76.793
flat angles C4'-P-C4' energy: -85.975
flat angles P-C4'-P energy: -56.374
tors. eta vs tors. theta energy: -81.443
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: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -872.302311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.302311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.302311 (E_RNA)
where:
Base-Base interactions energy: -552.581
where: short stacking energy: -230.964
Base-Backbone interact. energy: -3.143
local terms energy: -316.578938
where:
bonds (distance) C4'-P energy: -71.159
bonds (distance) P-C4' energy: -74.206
flat angles C4'-P-C4' energy: -76.946
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -51.865
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -866.422435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.422435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.422435 (E_RNA)
where:
Base-Base interactions energy: -529.563
where: short stacking energy: -264.251
Base-Backbone interact. energy: -0.851
local terms energy: -336.008096
where:
bonds (distance) C4'-P energy: -75.555
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -70.957
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -65.091
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: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -578.535690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.535690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.535690 (E_RNA)
where:
Base-Base interactions energy: -310.810
where: short stacking energy: -186.058
Base-Backbone interact. energy: 1.183
local terms energy: -268.909090
where:
bonds (distance) C4'-P energy: -72.071
bonds (distance) P-C4' energy: -76.754
flat angles C4'-P-C4' energy: -64.703
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -28.849
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: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -470.895088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.895088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.895088 (E_RNA)
where:
Base-Base interactions energy: -218.022
where: short stacking energy: -158.930
Base-Backbone interact. energy: -0.655
local terms energy: -252.218110
where:
bonds (distance) C4'-P energy: -67.989
bonds (distance) P-C4' energy: -65.895
flat angles C4'-P-C4' energy: -60.012
flat angles P-C4'-P energy: -32.989
tors. eta vs tors. theta energy: -25.332
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: 24
Temperature: 1.250000
Total energy: -378.703705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.703705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.703705 (E_RNA)
where:
Base-Base interactions energy: -144.789
where: short stacking energy: -117.192
Base-Backbone interact. energy: -1.135
local terms energy: -232.780452
where:
bonds (distance) C4'-P energy: -68.747
bonds (distance) P-C4' energy: -72.216
flat angles C4'-P-C4' energy: -61.065
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: 13.927
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: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -369.903561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.903561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.903561 (E_RNA)
where:
Base-Base interactions energy: -156.459
where: short stacking energy: -106.535
Base-Backbone interact. energy: 0.738
local terms energy: -214.182575
where:
bonds (distance) C4'-P energy: -64.347
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -49.351
flat angles P-C4'-P energy: -33.458
tors. eta vs tors. theta energy: 6.579
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: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -320.225566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.225566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.225566 (E_RNA)
where:
Base-Base interactions energy: -100.114
where: short stacking energy: -91.978
Base-Backbone interact. energy: -1.913
local terms energy: -218.198755
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -84.184
flat angles C4'-P-C4' energy: -44.013
flat angles P-C4'-P energy: -38.504
tors. eta vs tors. theta energy: 14.414
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: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1186.891944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.891944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.891944 (E_RNA)
where:
Base-Base interactions energy: -795.518
where: short stacking energy: -323.907
Base-Backbone interact. energy: -1.505
local terms energy: -389.868263
where:
bonds (distance) C4'-P energy: -75.883
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -89.028
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: -81.732
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: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1081.744801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.744801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.744801 (E_RNA)
where:
Base-Base interactions energy: -715.822
where: short stacking energy: -297.315
Base-Backbone interact. energy: -3.130
local terms energy: -362.793095
where:
bonds (distance) C4'-P energy: -78.938
bonds (distance) P-C4' energy: -86.302
flat angles C4'-P-C4' energy: -67.796
flat angles P-C4'-P energy: -53.504
tors. eta vs tors. theta energy: -76.254
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: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1083.589631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.589631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.589631 (E_RNA)
where:
Base-Base interactions energy: -688.659
where: short stacking energy: -300.098
Base-Backbone interact. energy: -3.710
local terms energy: -391.220802
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -84.777
flat angles C4'-P-C4' energy: -82.494
flat angles P-C4'-P energy: -63.286
tors. eta vs tors. theta energy: -81.292
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: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -912.058944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.058944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.058944 (E_RNA)
where:
Base-Base interactions energy: -552.181
where: short stacking energy: -271.886
Base-Backbone interact. energy: -2.938
local terms energy: -356.939286
where:
bonds (distance) C4'-P energy: -73.499
bonds (distance) P-C4' energy: -69.323
flat angles C4'-P-C4' energy: -81.047
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -73.139
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: 25
Temperature: 1.100000
Total energy: -884.634708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.634708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.634708 (E_RNA)
where:
Base-Base interactions energy: -544.054
where: short stacking energy: -260.945
Base-Backbone interact. energy: -3.833
local terms energy: -336.747430
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -64.039
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -54.565
tors. eta vs tors. theta energy: -59.315
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: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -625.470697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.470697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.470697 (E_RNA)
where:
Base-Base interactions energy: -322.872
where: short stacking energy: -176.159
Base-Backbone interact. energy: -3.493
local terms energy: -299.106113
where:
bonds (distance) C4'-P energy: -74.337
bonds (distance) P-C4' energy: -77.708
flat angles C4'-P-C4' energy: -75.976
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -31.435
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: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -480.769377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.769377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.769377 (E_RNA)
where:
Base-Base interactions energy: -230.578
where: short stacking energy: -130.825
Base-Backbone interact. energy: -0.783
local terms energy: -249.409130
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -71.284
flat angles C4'-P-C4' energy: -61.751
flat angles P-C4'-P energy: -48.486
tors. eta vs tors. theta energy: -8.605
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: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -371.733007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.733007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.733007 (E_RNA)
where:
Base-Base interactions energy: -134.996
where: short stacking energy: -114.804
Base-Backbone interact. energy: -0.477
local terms energy: -236.259441
where:
bonds (distance) C4'-P energy: -64.110
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -66.355
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: -4.827
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: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -374.527573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.527573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.527573 (E_RNA)
where:
Base-Base interactions energy: -189.175
where: short stacking energy: -106.476
Base-Backbone interact. energy: 0.765
local terms energy: -186.118098
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -66.541
flat angles C4'-P-C4' energy: -52.500
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: 7.992
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: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -344.777019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.777019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.777019 (E_RNA)
where:
Base-Base interactions energy: -107.478
where: short stacking energy: -96.826
Base-Backbone interact. energy: 4.370
local terms energy: -241.669654
where:
bonds (distance) C4'-P energy: -62.818
bonds (distance) P-C4' energy: -80.951
flat angles C4'-P-C4' energy: -59.341
flat angles P-C4'-P energy: -36.843
tors. eta vs tors. theta energy: -1.717
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: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1184.096711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.096711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.096711 (E_RNA)
where:
Base-Base interactions energy: -799.138
where: short stacking energy: -326.433
Base-Backbone interact. energy: -2.163
local terms energy: -382.795236
where:
bonds (distance) C4'-P energy: -86.884
bonds (distance) P-C4' energy: -73.367
flat angles C4'-P-C4' energy: -85.332
flat angles P-C4'-P energy: -51.802
tors. eta vs tors. theta energy: -85.411
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: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1072.832653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.832653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.832653 (E_RNA)
where:
Base-Base interactions energy: -699.109
where: short stacking energy: -283.743
Base-Backbone interact. energy: -4.350
local terms energy: -369.373877
where:
bonds (distance) C4'-P energy: -84.209
bonds (distance) P-C4' energy: -76.981
flat angles C4'-P-C4' energy: -84.840
flat angles P-C4'-P energy: -55.915
tors. eta vs tors. theta energy: -67.429
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: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1076.515779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.515779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.515779 (E_RNA)
where:
Base-Base interactions energy: -714.406
where: short stacking energy: -327.009
Base-Backbone interact. energy: 3.463
local terms energy: -365.573394
where:
bonds (distance) C4'-P energy: -72.905
bonds (distance) P-C4' energy: -73.710
flat angles C4'-P-C4' energy: -76.908
flat angles P-C4'-P energy: -48.074
tors. eta vs tors. theta energy: -93.976
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: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -896.813904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.813904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.813904 (E_RNA)
where:
Base-Base interactions energy: -557.725
where: short stacking energy: -291.551
Base-Backbone interact. energy: -1.783
local terms energy: -337.306060
where:
bonds (distance) C4'-P energy: -73.868
bonds (distance) P-C4' energy: -76.832
flat angles C4'-P-C4' energy: -83.408
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -74.061
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: 26
Temperature: 1.100000
Total energy: -903.097450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.097450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.097450 (E_RNA)
where:
Base-Base interactions energy: -594.077
where: short stacking energy: -245.494
Base-Backbone interact. energy: -0.675
local terms energy: -308.344906
where:
bonds (distance) C4'-P energy: -57.820
bonds (distance) P-C4' energy: -67.116
flat angles C4'-P-C4' energy: -66.485
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -70.644
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: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -647.317210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.317210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.317210 (E_RNA)
where:
Base-Base interactions energy: -353.622
where: short stacking energy: -176.026
Base-Backbone interact. energy: -1.552
local terms energy: -292.142662
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -70.736
flat angles C4'-P-C4' energy: -76.210
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -24.541
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: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -516.878432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.878432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.878432 (E_RNA)
where:
Base-Base interactions energy: -260.079
where: short stacking energy: -125.364
Base-Backbone interact. energy: 2.686
local terms energy: -259.485793
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -80.206
flat angles C4'-P-C4' energy: -62.502
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -6.536
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: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -385.386278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.386278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.386278 (E_RNA)
where:
Base-Base interactions energy: -153.310
where: short stacking energy: -120.428
Base-Backbone interact. energy: -1.605
local terms energy: -230.471126
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -60.082
flat angles C4'-P-C4' energy: -56.873
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: 0.789
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -443.007694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.007694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.007694 (E_RNA)
where:
Base-Base interactions energy: -191.370
where: short stacking energy: -124.521
Base-Backbone interact. energy: -1.312
local terms energy: -250.326175
where:
bonds (distance) C4'-P energy: -66.305
bonds (distance) P-C4' energy: -80.488
flat angles C4'-P-C4' energy: -69.540
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: -2.024
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: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -322.063445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.063445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.063445 (E_RNA)
where:
Base-Base interactions energy: -121.561
where: short stacking energy: -96.924
Base-Backbone interact. energy: -1.907
local terms energy: -198.595888
where:
bonds (distance) C4'-P energy: -66.614
bonds (distance) P-C4' energy: -72.138
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: 12.194
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: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1211.549978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.549978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.549978 (E_RNA)
where:
Base-Base interactions energy: -822.506
where: short stacking energy: -331.204
Base-Backbone interact. energy: -2.412
local terms energy: -386.631356
where:
bonds (distance) C4'-P energy: -71.161
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -84.636
flat angles P-C4'-P energy: -62.765
tors. eta vs tors. theta energy: -86.433
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: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1150.789929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.789929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.789929 (E_RNA)
where:
Base-Base interactions energy: -738.202
where: short stacking energy: -346.297
Base-Backbone interact. energy: -0.611
local terms energy: -411.976601
where:
bonds (distance) C4'-P energy: -79.647
bonds (distance) P-C4' energy: -76.390
flat angles C4'-P-C4' energy: -87.559
flat angles P-C4'-P energy: -67.940
tors. eta vs tors. theta energy: -100.441
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1045.606387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.606387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.606387 (E_RNA)
where:
Base-Base interactions energy: -704.623
where: short stacking energy: -298.158
Base-Backbone interact. energy: -2.614
local terms energy: -338.369440
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -72.896
flat angles C4'-P-C4' energy: -86.361
flat angles P-C4'-P energy: -38.315
tors. eta vs tors. theta energy: -78.769
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: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -920.172901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.172901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.172901 (E_RNA)
where:
Base-Base interactions energy: -565.109
where: short stacking energy: -255.040
Base-Backbone interact. energy: -2.926
local terms energy: -352.137693
where:
bonds (distance) C4'-P energy: -71.369
bonds (distance) P-C4' energy: -68.978
flat angles C4'-P-C4' energy: -79.058
flat angles P-C4'-P energy: -66.027
tors. eta vs tors. theta energy: -66.706
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: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -868.950623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.950623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.950623 (E_RNA)
where:
Base-Base interactions energy: -541.698
where: short stacking energy: -258.414
Base-Backbone interact. energy: -1.272
local terms energy: -325.980487
where:
bonds (distance) C4'-P energy: -63.942
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -80.071
flat angles P-C4'-P energy: -52.355
tors. eta vs tors. theta energy: -63.697
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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -638.805262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.805262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.805262 (E_RNA)
where:
Base-Base interactions energy: -356.244
where: short stacking energy: -188.897
Base-Backbone interact. energy: 5.885
local terms energy: -288.446282
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -66.079
flat angles C4'-P-C4' energy: -76.022
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -34.925
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: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -523.467095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.467095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.467095 (E_RNA)
where:
Base-Base interactions energy: -266.295
where: short stacking energy: -166.512
Base-Backbone interact. energy: 2.338
local terms energy: -259.510125
where:
bonds (distance) C4'-P energy: -56.129
bonds (distance) P-C4' energy: -75.336
flat angles C4'-P-C4' energy: -62.175
flat angles P-C4'-P energy: -35.835
tors. eta vs tors. theta energy: -30.035
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: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -464.247015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.247015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.247015 (E_RNA)
where:
Base-Base interactions energy: -225.734
where: short stacking energy: -124.543
Base-Backbone interact. energy: 2.464
local terms energy: -240.977642
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -65.587
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: -9.752
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: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -367.099239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.099239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.099239 (E_RNA)
where:
Base-Base interactions energy: -145.764
where: short stacking energy: -91.665
Base-Backbone interact. energy: 0.787
local terms energy: -222.121525
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -65.431
flat angles C4'-P-C4' energy: -58.665
flat angles P-C4'-P energy: -42.461
tors. eta vs tors. theta energy: -2.113
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: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -314.248697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.248697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.248697 (E_RNA)
where:
Base-Base interactions energy: -118.966
where: short stacking energy: -103.055
Base-Backbone interact. energy: -0.304
local terms energy: -194.978461
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: 9.499
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1205.871300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.871300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.871300 (E_RNA)
where:
Base-Base interactions energy: -823.768
where: short stacking energy: -332.004
Base-Backbone interact. energy: -5.204
local terms energy: -376.899779
where:
bonds (distance) C4'-P energy: -69.912
bonds (distance) P-C4' energy: -79.095
flat angles C4'-P-C4' energy: -82.899
flat angles P-C4'-P energy: -63.870
tors. eta vs tors. theta energy: -81.124
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: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1209.941988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.941988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.941988 (E_RNA)
where:
Base-Base interactions energy: -795.854
where: short stacking energy: -379.011
Base-Backbone interact. energy: -2.497
local terms energy: -411.590620
where:
bonds (distance) C4'-P energy: -74.660
bonds (distance) P-C4' energy: -77.524
flat angles C4'-P-C4' energy: -92.737
flat angles P-C4'-P energy: -53.718
tors. eta vs tors. theta energy: -112.951
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: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1013.797446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.797446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.797446 (E_RNA)
where:
Base-Base interactions energy: -676.417
where: short stacking energy: -287.193
Base-Backbone interact. energy: -0.417
local terms energy: -336.963429
where:
bonds (distance) C4'-P energy: -76.595
bonds (distance) P-C4' energy: -72.773
flat angles C4'-P-C4' energy: -75.042
flat angles P-C4'-P energy: -44.519
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: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -930.133832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.133832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.133832 (E_RNA)
where:
Base-Base interactions energy: -571.021
where: short stacking energy: -250.036
Base-Backbone interact. energy: -0.202
local terms energy: -358.910501
where:
bonds (distance) C4'-P energy: -76.957
bonds (distance) P-C4' energy: -80.763
flat angles C4'-P-C4' energy: -77.099
flat angles P-C4'-P energy: -55.707
tors. eta vs tors. theta energy: -68.384
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: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -851.565837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.565837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.565837 (E_RNA)
where:
Base-Base interactions energy: -510.193
where: short stacking energy: -257.332
Base-Backbone interact. energy: 0.169
local terms energy: -341.541674
where:
bonds (distance) C4'-P energy: -71.332
bonds (distance) P-C4' energy: -79.093
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -52.247
tors. eta vs tors. theta energy: -64.568
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: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -601.655334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.655334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.655334 (E_RNA)
where:
Base-Base interactions energy: -319.254
where: short stacking energy: -166.581
Base-Backbone interact. energy: -1.573
local terms energy: -280.828370
where:
bonds (distance) C4'-P energy: -75.486
bonds (distance) P-C4' energy: -82.129
flat angles C4'-P-C4' energy: -64.488
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -21.601
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: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -523.746313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.746313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.746313 (E_RNA)
where:
Base-Base interactions energy: -263.516
where: short stacking energy: -169.220
Base-Backbone interact. energy: 1.033
local terms energy: -261.263031
where:
bonds (distance) C4'-P energy: -65.984
bonds (distance) P-C4' energy: -81.010
flat angles C4'-P-C4' energy: -53.295
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -23.210
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -483.150831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.150831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.150831 (E_RNA)
where:
Base-Base interactions energy: -241.105
where: short stacking energy: -119.361
Base-Backbone interact. energy: -0.886
local terms energy: -241.160179
where:
bonds (distance) C4'-P energy: -63.228
bonds (distance) P-C4' energy: -67.599
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -30.251
tors. eta vs tors. theta energy: -18.264
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: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -361.365024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.365024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.365024 (E_RNA)
where:
Base-Base interactions energy: -147.044
where: short stacking energy: -92.169
Base-Backbone interact. energy: 0.417
local terms energy: -214.738433
where:
bonds (distance) C4'-P energy: -57.391
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -48.619
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: 2.647
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -331.782664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.782664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.782664 (E_RNA)
where:
Base-Base interactions energy: -139.869
where: short stacking energy: -86.506
Base-Backbone interact. energy: -2.068
local terms energy: -189.844982
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -69.795
flat angles C4'-P-C4' energy: -52.086
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: 17.704
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: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1235.920092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.920092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.920092 (E_RNA)
where:
Base-Base interactions energy: -845.484
where: short stacking energy: -333.820
Base-Backbone interact. energy: -3.352
local terms energy: -387.083222
where:
bonds (distance) C4'-P energy: -70.170
bonds (distance) P-C4' energy: -78.964
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -92.425
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: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1214.752645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.752645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.752645 (E_RNA)
where:
Base-Base interactions energy: -803.249
where: short stacking energy: -342.758
Base-Backbone interact. energy: -1.295
local terms energy: -410.208671
where:
bonds (distance) C4'-P energy: -81.413
bonds (distance) P-C4' energy: -80.981
flat angles C4'-P-C4' energy: -91.820
flat angles P-C4'-P energy: -55.088
tors. eta vs tors. theta energy: -100.906
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: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1035.772323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.772323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.772323 (E_RNA)
where:
Base-Base interactions energy: -668.396
where: short stacking energy: -301.934
Base-Backbone interact. energy: -1.551
local terms energy: -365.825830
where:
bonds (distance) C4'-P energy: -78.334
bonds (distance) P-C4' energy: -84.429
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -72.898
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: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -911.125067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.125067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.125067 (E_RNA)
where:
Base-Base interactions energy: -569.510
where: short stacking energy: -258.711
Base-Backbone interact. energy: 1.333
local terms energy: -342.948519
where:
bonds (distance) C4'-P energy: -78.710
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -81.958
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -69.814
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: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -824.792363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.792363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.792363 (E_RNA)
where:
Base-Base interactions energy: -503.057
where: short stacking energy: -231.086
Base-Backbone interact. energy: -1.307
local terms energy: -320.428336
where:
bonds (distance) C4'-P energy: -81.660
bonds (distance) P-C4' energy: -67.777
flat angles C4'-P-C4' energy: -72.945
flat angles P-C4'-P energy: -34.985
tors. eta vs tors. theta energy: -63.060
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: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -623.289023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.289023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.289023 (E_RNA)
where:
Base-Base interactions energy: -339.193
where: short stacking energy: -176.251
Base-Backbone interact. energy: 1.343
local terms energy: -285.438943
where:
bonds (distance) C4'-P energy: -68.821
bonds (distance) P-C4' energy: -77.449
flat angles C4'-P-C4' energy: -75.886
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: -25.057
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: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -515.375889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.375889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.375889 (E_RNA)
where:
Base-Base interactions energy: -254.043
where: short stacking energy: -135.987
Base-Backbone interact. energy: -0.636
local terms energy: -260.697388
where:
bonds (distance) C4'-P energy: -72.295
bonds (distance) P-C4' energy: -77.537
flat angles C4'-P-C4' energy: -64.186
flat angles P-C4'-P energy: -43.912
tors. eta vs tors. theta energy: -2.766
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: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -511.183609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.183609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.183609 (E_RNA)
where:
Base-Base interactions energy: -263.876
where: short stacking energy: -155.120
Base-Backbone interact. energy: -1.075
local terms energy: -246.233059
where:
bonds (distance) C4'-P energy: -63.460
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -59.789
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -24.160
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: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -348.061684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.061684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.061684 (E_RNA)
where:
Base-Base interactions energy: -127.605
where: short stacking energy: -109.769
Base-Backbone interact. energy: 10.121
local terms energy: -230.578303
where:
bonds (distance) C4'-P energy: -69.462
bonds (distance) P-C4' energy: -69.243
flat angles C4'-P-C4' energy: -47.628
flat angles P-C4'-P energy: -44.318
tors. eta vs tors. theta energy: 0.073
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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -317.603840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.603840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.603840 (E_RNA)
where:
Base-Base interactions energy: -89.618
where: short stacking energy: -70.905
Base-Backbone interact. energy: 0.050
local terms energy: -228.036504
where:
bonds (distance) C4'-P energy: -59.175
bonds (distance) P-C4' energy: -64.232
flat angles C4'-P-C4' energy: -72.375
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: 2.119
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1242.100548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.100548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.100548 (E_RNA)
where:
Base-Base interactions energy: -803.946
where: short stacking energy: -364.390
Base-Backbone interact. energy: -0.254
local terms energy: -437.900050
where:
bonds (distance) C4'-P energy: -79.210
bonds (distance) P-C4' energy: -87.525
flat angles C4'-P-C4' energy: -95.602
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -108.472
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: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1194.982252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.982252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.982252 (E_RNA)
where:
Base-Base interactions energy: -809.371
where: short stacking energy: -315.724
Base-Backbone interact. energy: -4.407
local terms energy: -381.204435
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -73.480
flat angles C4'-P-C4' energy: -85.766
flat angles P-C4'-P energy: -65.651
tors. eta vs tors. theta energy: -87.544
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: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -979.271548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.271548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.271548 (E_RNA)
where:
Base-Base interactions energy: -624.815
where: short stacking energy: -285.536
Base-Backbone interact. energy: -4.286
local terms energy: -350.170902
where:
bonds (distance) C4'-P energy: -83.860
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -76.489
flat angles P-C4'-P energy: -51.235
tors. eta vs tors. theta energy: -61.726
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: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -919.262659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.262659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.262659 (E_RNA)
where:
Base-Base interactions energy: -581.083
where: short stacking energy: -277.604
Base-Backbone interact. energy: -0.211
local terms energy: -337.968256
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -76.422
flat angles C4'-P-C4' energy: -75.497
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -78.630
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: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -867.221029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.221029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.221029 (E_RNA)
where:
Base-Base interactions energy: -529.251
where: short stacking energy: -272.358
Base-Backbone interact. energy: 0.413
local terms energy: -338.383147
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -66.822
flat angles C4'-P-C4' energy: -73.718
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -78.333
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)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -665.099767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.099767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.099767 (E_RNA)
where:
Base-Base interactions energy: -363.201
where: short stacking energy: -209.474
Base-Backbone interact. energy: -1.977
local terms energy: -299.922402
where:
bonds (distance) C4'-P energy: -64.704
bonds (distance) P-C4' energy: -80.359
flat angles C4'-P-C4' energy: -78.368
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -38.146
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: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -546.926869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.926869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.926869 (E_RNA)
where:
Base-Base interactions energy: -300.975
where: short stacking energy: -168.411
Base-Backbone interact. energy: -0.453
local terms energy: -245.498643
where:
bonds (distance) C4'-P energy: -67.526
bonds (distance) P-C4' energy: -66.017
flat angles C4'-P-C4' energy: -60.225
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: -19.692
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: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -471.005619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.005619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.005619 (E_RNA)
where:
Base-Base interactions energy: -218.876
where: short stacking energy: -141.122
Base-Backbone interact. energy: -0.112
local terms energy: -252.018497
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -63.579
flat angles C4'-P-C4' energy: -70.488
flat angles P-C4'-P energy: -50.724
tors. eta vs tors. theta energy: -10.364
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: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -350.553243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.553243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.553243 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -128.812
Base-Backbone interact. energy: -2.335
local terms energy: -213.532206
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -70.869
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -23.933
tors. eta vs tors. theta energy: 1.175
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: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -302.826714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.826714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.826714 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -72.185
Base-Backbone interact. energy: -1.514
local terms energy: -187.441298
where:
bonds (distance) C4'-P energy: -51.760
bonds (distance) P-C4' energy: -77.894
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -38.119
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: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1235.093748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.093748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.093748 (E_RNA)
where:
Base-Base interactions energy: -803.592
where: short stacking energy: -374.781
Base-Backbone interact. energy: -2.781
local terms energy: -428.721228
where:
bonds (distance) C4'-P energy: -79.972
bonds (distance) P-C4' energy: -84.333
flat angles C4'-P-C4' energy: -93.097
flat angles P-C4'-P energy: -64.028
tors. eta vs tors. theta energy: -107.290
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: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1156.550483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.550483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.550483 (E_RNA)
where:
Base-Base interactions energy: -773.205
where: short stacking energy: -325.375
Base-Backbone interact. energy: -4.259
local terms energy: -379.086453
where:
bonds (distance) C4'-P energy: -69.323
bonds (distance) P-C4' energy: -88.962
flat angles C4'-P-C4' energy: -86.884
flat angles P-C4'-P energy: -50.910
tors. eta vs tors. theta energy: -83.007
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: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -960.850569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.850569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.850569 (E_RNA)
where:
Base-Base interactions energy: -625.804
where: short stacking energy: -251.825
Base-Backbone interact. energy: -0.615
local terms energy: -334.431856
where:
bonds (distance) C4'-P energy: -80.305
bonds (distance) P-C4' energy: -75.391
flat angles C4'-P-C4' energy: -74.870
flat angles P-C4'-P energy: -39.299
tors. eta vs tors. theta energy: -64.566
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: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -962.940454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.940454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.940454 (E_RNA)
where:
Base-Base interactions energy: -584.722
where: short stacking energy: -294.558
Base-Backbone interact. energy: 0.197
local terms energy: -378.415021
where:
bonds (distance) C4'-P energy: -73.242
bonds (distance) P-C4' energy: -78.636
flat angles C4'-P-C4' energy: -73.025
flat angles P-C4'-P energy: -54.349
tors. eta vs tors. theta energy: -99.163
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: 31
Temperature: 1.100000
Total energy: -777.115904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.115904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.115904 (E_RNA)
where:
Base-Base interactions energy: -446.794
where: short stacking energy: -238.243
Base-Backbone interact. energy: 2.359
local terms energy: -332.680841
where:
bonds (distance) C4'-P energy: -76.727
bonds (distance) P-C4' energy: -85.772
flat angles C4'-P-C4' energy: -70.885
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -50.585
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: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -657.384752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.384752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.384752 (E_RNA)
where:
Base-Base interactions energy: -366.845
where: short stacking energy: -192.125
Base-Backbone interact. energy: -0.604
local terms energy: -289.936050
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -74.809
flat angles C4'-P-C4' energy: -78.881
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: -32.323
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: 31
Temperature: 1.200000
Total energy: -555.292385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.292385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.292385 (E_RNA)
where:
Base-Base interactions energy: -290.610
where: short stacking energy: -158.217
Base-Backbone interact. energy: -1.133
local terms energy: -263.549496
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -81.368
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -46.520
tors. eta vs tors. theta energy: -12.350
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: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -447.303734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.303734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.303734 (E_RNA)
where:
Base-Base interactions energy: -212.085
where: short stacking energy: -138.451
Base-Backbone interact. energy: 1.037
local terms energy: -236.255338
where:
bonds (distance) C4'-P energy: -62.991
bonds (distance) P-C4' energy: -73.625
flat angles C4'-P-C4' energy: -47.551
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -19.729
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: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -413.015871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.015871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.015871 (E_RNA)
where:
Base-Base interactions energy: -185.292
where: short stacking energy: -102.946
Base-Backbone interact. energy: 0.398
local terms energy: -228.122147
where:
bonds (distance) C4'-P energy: -61.191
bonds (distance) P-C4' energy: -75.145
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -40.002
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: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -326.785977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.785977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.785977 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -74.828
Base-Backbone interact. energy: -1.530
local terms energy: -206.683432
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -64.483
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -42.497
tors. eta vs tors. theta energy: 25.429
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1241.563063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.563063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.563063 (E_RNA)
where:
Base-Base interactions energy: -825.329
where: short stacking energy: -389.820
Base-Backbone interact. energy: -2.028
local terms energy: -414.206614
where:
bonds (distance) C4'-P energy: -77.603
bonds (distance) P-C4' energy: -80.344
flat angles C4'-P-C4' energy: -89.911
flat angles P-C4'-P energy: -52.532
tors. eta vs tors. theta energy: -113.816
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1190.226117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.226117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.226117 (E_RNA)
where:
Base-Base interactions energy: -795.778
where: short stacking energy: -311.558
Base-Backbone interact. energy: -4.072
local terms energy: -390.376802
where:
bonds (distance) C4'-P energy: -68.873
bonds (distance) P-C4' energy: -83.982
flat angles C4'-P-C4' energy: -89.086
flat angles P-C4'-P energy: -57.933
tors. eta vs tors. theta energy: -90.504
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: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1003.765976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.765976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.765976 (E_RNA)
where:
Base-Base interactions energy: -675.223
where: short stacking energy: -273.246
Base-Backbone interact. energy: -1.124
local terms energy: -327.418684
where:
bonds (distance) C4'-P energy: -65.467
bonds (distance) P-C4' energy: -74.827
flat angles C4'-P-C4' energy: -80.469
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -65.496
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: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -961.201455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.201455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.201455 (E_RNA)
where:
Base-Base interactions energy: -607.573
where: short stacking energy: -267.055
Base-Backbone interact. energy: -1.909
local terms energy: -351.719355
where:
bonds (distance) C4'-P energy: -73.205
bonds (distance) P-C4' energy: -74.744
flat angles C4'-P-C4' energy: -72.930
flat angles P-C4'-P energy: -59.269
tors. eta vs tors. theta energy: -71.572
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -865.657711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.657711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.657711 (E_RNA)
where:
Base-Base interactions energy: -523.008
where: short stacking energy: -249.610
Base-Backbone interact. energy: -0.356
local terms energy: -342.293594
where:
bonds (distance) C4'-P energy: -83.787
bonds (distance) P-C4' energy: -71.730
flat angles C4'-P-C4' energy: -73.552
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -66.564
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: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -647.810827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.810827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.810827 (E_RNA)
where:
Base-Base interactions energy: -363.823
where: short stacking energy: -155.953
Base-Backbone interact. energy: -0.635
local terms energy: -283.352897
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -80.849
flat angles C4'-P-C4' energy: -71.728
flat angles P-C4'-P energy: -54.320
tors. eta vs tors. theta energy: -20.663
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -515.289949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.289949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.289949 (E_RNA)
where:
Base-Base interactions energy: -263.475
where: short stacking energy: -141.324
Base-Backbone interact. energy: 0.186
local terms energy: -252.001707
where:
bonds (distance) C4'-P energy: -79.991
bonds (distance) P-C4' energy: -66.854
flat angles C4'-P-C4' energy: -55.646
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -4.620
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: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -478.202512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.202512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.202512 (E_RNA)
where:
Base-Base interactions energy: -241.482
where: short stacking energy: -142.874
Base-Backbone interact. energy: 1.129
local terms energy: -237.849903
where:
bonds (distance) C4'-P energy: -69.166
bonds (distance) P-C4' energy: -69.040
flat angles C4'-P-C4' energy: -60.015
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -5.302
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: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -411.930715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.930715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.930715 (E_RNA)
where:
Base-Base interactions energy: -203.110
where: short stacking energy: -130.578
Base-Backbone interact. energy: 2.897
local terms energy: -211.717609
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -70.269
flat angles C4'-P-C4' energy: -47.253
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: 2.232
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: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -322.046034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.046034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.046034 (E_RNA)
where:
Base-Base interactions energy: -118.636
where: short stacking energy: -98.955
Base-Backbone interact. energy: -0.577
local terms energy: -202.832697
where:
bonds (distance) C4'-P energy: -72.312
bonds (distance) P-C4' energy: -71.847
flat angles C4'-P-C4' energy: -42.974
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: 11.880
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: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1235.211506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.211506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.211506 (E_RNA)
where:
Base-Base interactions energy: -829.728
where: short stacking energy: -382.368
Base-Backbone interact. energy: -1.816
local terms energy: -403.668049
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -81.702
flat angles C4'-P-C4' energy: -84.953
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -103.749
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: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1158.918478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.918478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.918478 (E_RNA)
where:
Base-Base interactions energy: -780.188
where: short stacking energy: -325.205
Base-Backbone interact. energy: -2.100
local terms energy: -376.631264
where:
bonds (distance) C4'-P energy: -70.897
bonds (distance) P-C4' energy: -79.269
flat angles C4'-P-C4' energy: -87.680
flat angles P-C4'-P energy: -55.408
tors. eta vs tors. theta energy: -83.377
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: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1002.021844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.021844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.021844 (E_RNA)
where:
Base-Base interactions energy: -672.309
where: short stacking energy: -261.951
Base-Backbone interact. energy: -3.870
local terms energy: -325.842313
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -71.938
flat angles C4'-P-C4' energy: -67.482
flat angles P-C4'-P energy: -46.882
tors. eta vs tors. theta energy: -69.270
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: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -960.985941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.985941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.985941 (E_RNA)
where:
Base-Base interactions energy: -610.991
where: short stacking energy: -280.774
Base-Backbone interact. energy: 0.887
local terms energy: -350.881256
where:
bonds (distance) C4'-P energy: -74.889
bonds (distance) P-C4' energy: -73.695
flat angles C4'-P-C4' energy: -76.144
flat angles P-C4'-P energy: -54.792
tors. eta vs tors. theta energy: -71.361
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -875.527255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.527255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.527255 (E_RNA)
where:
Base-Base interactions energy: -531.864
where: short stacking energy: -254.211
Base-Backbone interact. energy: 2.729
local terms energy: -346.392037
where:
bonds (distance) C4'-P energy: -82.274
bonds (distance) P-C4' energy: -77.061
flat angles C4'-P-C4' energy: -74.589
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -76.322
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: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -650.263501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.263501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.263501 (E_RNA)
where:
Base-Base interactions energy: -345.865
where: short stacking energy: -168.003
Base-Backbone interact. energy: -1.552
local terms energy: -302.846323
where:
bonds (distance) C4'-P energy: -73.628
bonds (distance) P-C4' energy: -78.145
flat angles C4'-P-C4' energy: -74.341
flat angles P-C4'-P energy: -55.904
tors. eta vs tors. theta energy: -20.827
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -543.586095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.586095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.586095 (E_RNA)
where:
Base-Base interactions energy: -291.841
where: short stacking energy: -167.443
Base-Backbone interact. energy: -0.121
local terms energy: -251.623617
where:
bonds (distance) C4'-P energy: -72.517
bonds (distance) P-C4' energy: -71.689
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -28.601
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: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -492.591642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.591642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.591642 (E_RNA)
where:
Base-Base interactions energy: -264.646
where: short stacking energy: -136.146
Base-Backbone interact. energy: 3.315
local terms energy: -231.260448
where:
bonds (distance) C4'-P energy: -67.356
bonds (distance) P-C4' energy: -81.375
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -2.617
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: 9, replica: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -413.157035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.157035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.157035 (E_RNA)
where:
Base-Base interactions energy: -167.586
where: short stacking energy: -97.356
Base-Backbone interact. energy: -0.363
local terms energy: -245.207879
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -71.810
flat angles C4'-P-C4' energy: -65.233
flat angles P-C4'-P energy: -41.890
tors. eta vs tors. theta energy: -4.579
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: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -328.649787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.649787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.649787 (E_RNA)
where:
Base-Base interactions energy: -132.025
where: short stacking energy: -102.157
Base-Backbone interact. energy: -1.803
local terms energy: -194.822204
where:
bonds (distance) C4'-P energy: -58.737
bonds (distance) P-C4' energy: -57.881
flat angles C4'-P-C4' energy: -58.303
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: 19.751
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: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1248.094128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.094128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.094128 (E_RNA)
where:
Base-Base interactions energy: -832.961
where: short stacking energy: -351.412
Base-Backbone interact. energy: -1.674
local terms energy: -413.458831
where:
bonds (distance) C4'-P energy: -83.378
bonds (distance) P-C4' energy: -87.120
flat angles C4'-P-C4' energy: -85.871
flat angles P-C4'-P energy: -64.221
tors. eta vs tors. theta energy: -92.870
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: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1153.817692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.817692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.817692 (E_RNA)
where:
Base-Base interactions energy: -765.949
where: short stacking energy: -329.727
Base-Backbone interact. energy: -1.771
local terms energy: -386.097630
where:
bonds (distance) C4'-P energy: -79.013
bonds (distance) P-C4' energy: -78.596
flat angles C4'-P-C4' energy: -85.403
flat angles P-C4'-P energy: -58.641
tors. eta vs tors. theta energy: -84.445
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: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1014.120749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.120749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.120749 (E_RNA)
where:
Base-Base interactions energy: -671.386
where: short stacking energy: -287.658
Base-Backbone interact. energy: -2.545
local terms energy: -340.189940
where:
bonds (distance) C4'-P energy: -68.562
bonds (distance) P-C4' energy: -73.287
flat angles C4'-P-C4' energy: -74.620
flat angles P-C4'-P energy: -44.388
tors. eta vs tors. theta energy: -79.333
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)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -960.727913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.727913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.727913 (E_RNA)
where:
Base-Base interactions energy: -633.233
where: short stacking energy: -253.850
Base-Backbone interact. energy: -4.385
local terms energy: -323.110330
where:
bonds (distance) C4'-P energy: -69.451
bonds (distance) P-C4' energy: -71.146
flat angles C4'-P-C4' energy: -73.633
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -63.952
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: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -849.078316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.078316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.078316 (E_RNA)
where:
Base-Base interactions energy: -509.095
where: short stacking energy: -265.853
Base-Backbone interact. energy: -1.323
local terms energy: -338.660557
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -86.515
flat angles C4'-P-C4' energy: -60.225
flat angles P-C4'-P energy: -54.099
tors. eta vs tors. theta energy: -65.487
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: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -644.147277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.147277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.147277 (E_RNA)
where:
Base-Base interactions energy: -372.957
where: short stacking energy: -186.762
Base-Backbone interact. energy: 0.540
local terms energy: -271.730238
where:
bonds (distance) C4'-P energy: -70.166
bonds (distance) P-C4' energy: -64.558
flat angles C4'-P-C4' energy: -52.844
flat angles P-C4'-P energy: -49.731
tors. eta vs tors. theta energy: -34.430
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: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -538.864614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.864614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.864614 (E_RNA)
where:
Base-Base interactions energy: -282.084
where: short stacking energy: -161.379
Base-Backbone interact. energy: 0.765
local terms energy: -257.545357
where:
bonds (distance) C4'-P energy: -68.771
bonds (distance) P-C4' energy: -73.345
flat angles C4'-P-C4' energy: -67.875
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -3.094
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: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -452.984762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.984762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.984762 (E_RNA)
where:
Base-Base interactions energy: -218.453
where: short stacking energy: -133.240
Base-Backbone interact. energy: -1.871
local terms energy: -232.660785
where:
bonds (distance) C4'-P energy: -67.269
bonds (distance) P-C4' energy: -70.217
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: 2.870
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: 34
Temperature: 1.300000
Total energy: -394.953127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.953127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.953127 (E_RNA)
where:
Base-Base interactions energy: -167.930
where: short stacking energy: -118.199
Base-Backbone interact. energy: -2.562
local terms energy: -224.461431
where:
bonds (distance) C4'-P energy: -68.254
bonds (distance) P-C4' energy: -66.625
flat angles C4'-P-C4' energy: -55.354
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: 11.737
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: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -334.139760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.139760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.139760 (E_RNA)
where:
Base-Base interactions energy: -122.196
where: short stacking energy: -88.213
Base-Backbone interact. energy: -1.420
local terms energy: -210.523689
where:
bonds (distance) C4'-P energy: -77.981
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -65.783
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: 4.625
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: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1249.221465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.221465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.221465 (E_RNA)
where:
Base-Base interactions energy: -843.131
where: short stacking energy: -371.648
Base-Backbone interact. energy: -0.667
local terms energy: -405.422755
where:
bonds (distance) C4'-P energy: -81.329
bonds (distance) P-C4' energy: -82.271
flat angles C4'-P-C4' energy: -82.203
flat angles P-C4'-P energy: -52.162
tors. eta vs tors. theta energy: -107.458
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: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1139.590842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.590842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.590842 (E_RNA)
where:
Base-Base interactions energy: -755.190
where: short stacking energy: -316.701
Base-Backbone interact. energy: -3.398
local terms energy: -381.002568
where:
bonds (distance) C4'-P energy: -77.731
bonds (distance) P-C4' energy: -83.992
flat angles C4'-P-C4' energy: -79.842
flat angles P-C4'-P energy: -54.461
tors. eta vs tors. theta energy: -84.977
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: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1012.757686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.757686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.757686 (E_RNA)
where:
Base-Base interactions energy: -661.240
where: short stacking energy: -291.353
Base-Backbone interact. energy: -1.768
local terms energy: -349.749041
where:
bonds (distance) C4'-P energy: -69.424
bonds (distance) P-C4' energy: -79.859
flat angles C4'-P-C4' energy: -68.032
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -81.399
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -935.860224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.860224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.860224 (E_RNA)
where:
Base-Base interactions energy: -597.510
where: short stacking energy: -262.861
Base-Backbone interact. energy: -2.200
local terms energy: -336.149458
where:
bonds (distance) C4'-P energy: -71.708
bonds (distance) P-C4' energy: -81.040
flat angles C4'-P-C4' energy: -78.601
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -62.515
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: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -895.671353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.671353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.671353 (E_RNA)
where:
Base-Base interactions energy: -561.173
where: short stacking energy: -289.418
Base-Backbone interact. energy: -0.876
local terms energy: -333.621770
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -82.417
flat angles C4'-P-C4' energy: -75.660
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -77.401
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: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -659.235183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.235183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.235183 (E_RNA)
where:
Base-Base interactions energy: -370.827
where: short stacking energy: -198.193
Base-Backbone interact. energy: 0.167
local terms energy: -288.574887
where:
bonds (distance) C4'-P energy: -73.154
bonds (distance) P-C4' energy: -67.417
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -36.514
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: 35
Temperature: 1.200000
Total energy: -531.660393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.660393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.660393 (E_RNA)
where:
Base-Base interactions energy: -282.525
where: short stacking energy: -149.400
Base-Backbone interact. energy: 1.052
local terms energy: -250.187157
where:
bonds (distance) C4'-P energy: -67.498
bonds (distance) P-C4' energy: -72.047
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -29.053
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)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -446.275229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.275229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.275229 (E_RNA)
where:
Base-Base interactions energy: -217.043
where: short stacking energy: -126.349
Base-Backbone interact. energy: 3.721
local terms energy: -232.952776
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -77.431
flat angles C4'-P-C4' energy: -44.029
flat angles P-C4'-P energy: -44.213
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -420.430024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.430024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.430024 (E_RNA)
where:
Base-Base interactions energy: -177.824
where: short stacking energy: -120.117
Base-Backbone interact. energy: -1.646
local terms energy: -240.960124
where:
bonds (distance) C4'-P energy: -68.865
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -53.122
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -5.464
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: 35
Temperature: 1.350000
Total energy: -352.943687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.943687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.943687 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -96.282
Base-Backbone interact. energy: -0.152
local terms energy: -207.920032
where:
bonds (distance) C4'-P energy: -65.273
bonds (distance) P-C4' energy: -64.287
flat angles C4'-P-C4' energy: -60.268
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: 18.277
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: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1246.460860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.460860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.460860 (E_RNA)
where:
Base-Base interactions energy: -844.804
where: short stacking energy: -362.485
Base-Backbone interact. energy: -1.681
local terms energy: -399.976077
where:
bonds (distance) C4'-P energy: -72.609
bonds (distance) P-C4' energy: -77.577
flat angles C4'-P-C4' energy: -93.125
flat angles P-C4'-P energy: -54.344
tors. eta vs tors. theta energy: -102.321
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: 36
Temperature: 0.950000
Total energy: -1175.176099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.176099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.176099 (E_RNA)
where:
Base-Base interactions energy: -792.165
where: short stacking energy: -329.531
Base-Backbone interact. energy: -3.450
local terms energy: -379.561073
where:
bonds (distance) C4'-P energy: -78.804
bonds (distance) P-C4' energy: -78.567
flat angles C4'-P-C4' energy: -87.855
flat angles P-C4'-P energy: -49.905
tors. eta vs tors. theta energy: -84.430
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: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -982.400051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.400051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.400051 (E_RNA)
where:
Base-Base interactions energy: -625.980
where: short stacking energy: -238.740
Base-Backbone interact. energy: -2.931
local terms energy: -353.489005
where:
bonds (distance) C4'-P energy: -67.374
bonds (distance) P-C4' energy: -82.238
flat angles C4'-P-C4' energy: -89.820
flat angles P-C4'-P energy: -53.632
tors. eta vs tors. theta energy: -60.425
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -889.729041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.729041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.729041 (E_RNA)
where:
Base-Base interactions energy: -574.120
where: short stacking energy: -251.563
Base-Backbone interact. energy: 0.261
local terms energy: -315.870165
where:
bonds (distance) C4'-P energy: -77.882
bonds (distance) P-C4' energy: -71.593
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -43.219
tors. eta vs tors. theta energy: -57.614
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: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -905.284576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.284576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.284576 (E_RNA)
where:
Base-Base interactions energy: -567.625
where: short stacking energy: -283.075
Base-Backbone interact. energy: -0.416
local terms energy: -337.243111
where:
bonds (distance) C4'-P energy: -58.042
bonds (distance) P-C4' energy: -76.851
flat angles C4'-P-C4' energy: -82.649
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -72.524
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: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -732.976919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.976919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.976919 (E_RNA)
where:
Base-Base interactions energy: -427.087
where: short stacking energy: -217.111
Base-Backbone interact. energy: -2.176
local terms energy: -303.714361
where:
bonds (distance) C4'-P energy: -75.952
bonds (distance) P-C4' energy: -64.458
flat angles C4'-P-C4' energy: -75.445
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -49.944
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: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -549.594057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.594057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.594057 (E_RNA)
where:
Base-Base interactions energy: -294.517
where: short stacking energy: -148.308
Base-Backbone interact. energy: -3.288
local terms energy: -251.788949
where:
bonds (distance) C4'-P energy: -67.651
bonds (distance) P-C4' energy: -71.813
flat angles C4'-P-C4' energy: -56.936
flat angles P-C4'-P energy: -35.999
tors. eta vs tors. theta energy: -19.389
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: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -443.752385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.752385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.752385 (E_RNA)
where:
Base-Base interactions energy: -218.018
where: short stacking energy: -125.667
Base-Backbone interact. energy: 2.076
local terms energy: -227.810099
where:
bonds (distance) C4'-P energy: -64.409
bonds (distance) P-C4' energy: -73.580
flat angles C4'-P-C4' energy: -70.819
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: 7.668
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: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -400.990920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.990920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.990920 (E_RNA)
where:
Base-Base interactions energy: -192.895
where: short stacking energy: -123.017
Base-Backbone interact. energy: -0.188
local terms energy: -207.908237
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -68.859
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -3.627
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: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -320.503810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.503810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.503810 (E_RNA)
where:
Base-Base interactions energy: -127.707
where: short stacking energy: -81.018
Base-Backbone interact. energy: -0.665
local terms energy: -192.131058
where:
bonds (distance) C4'-P energy: -63.377
bonds (distance) P-C4' energy: -68.579
flat angles C4'-P-C4' energy: -46.669
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: 9.205
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: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1275.956865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.956865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.956865 (E_RNA)
where:
Base-Base interactions energy: -851.094
where: short stacking energy: -378.301
Base-Backbone interact. energy: 2.138
local terms energy: -427.000916
where:
bonds (distance) C4'-P energy: -80.251
bonds (distance) P-C4' energy: -79.368
flat angles C4'-P-C4' energy: -92.971
flat angles P-C4'-P energy: -52.482
tors. eta vs tors. theta energy: -121.929
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: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1134.082935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.082935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.082935 (E_RNA)
where:
Base-Base interactions energy: -771.132
where: short stacking energy: -302.763
Base-Backbone interact. energy: 2.231
local terms energy: -365.182197
where:
bonds (distance) C4'-P energy: -72.228
bonds (distance) P-C4' energy: -73.021
flat angles C4'-P-C4' energy: -82.797
flat angles P-C4'-P energy: -59.465
tors. eta vs tors. theta energy: -77.671
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1032.394875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.394875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.394875 (E_RNA)
where:
Base-Base interactions energy: -671.300
where: short stacking energy: -293.997
Base-Backbone interact. energy: -3.329
local terms energy: -357.765383
where:
bonds (distance) C4'-P energy: -76.687
bonds (distance) P-C4' energy: -71.920
flat angles C4'-P-C4' energy: -77.956
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -82.455
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: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -905.330287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.330287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.330287 (E_RNA)
where:
Base-Base interactions energy: -536.995
where: short stacking energy: -241.073
Base-Backbone interact. energy: -4.908
local terms energy: -363.427625
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -90.792
flat angles C4'-P-C4' energy: -78.954
flat angles P-C4'-P energy: -60.687
tors. eta vs tors. theta energy: -62.056
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: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -881.010045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.010045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.010045 (E_RNA)
where:
Base-Base interactions energy: -541.020
where: short stacking energy: -257.587
Base-Backbone interact. energy: -1.979
local terms energy: -338.010316
where:
bonds (distance) C4'-P energy: -72.650
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -82.485
flat angles P-C4'-P energy: -53.667
tors. eta vs tors. theta energy: -53.981
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -733.617765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.617765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.617765 (E_RNA)
where:
Base-Base interactions energy: -442.733
where: short stacking energy: -224.789
Base-Backbone interact. energy: 0.502
local terms energy: -291.386675
where:
bonds (distance) C4'-P energy: -66.498
bonds (distance) P-C4' energy: -72.647
flat angles C4'-P-C4' energy: -63.526
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: -43.215
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: 37
Temperature: 1.200000
Total energy: -625.117397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.117397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.117397 (E_RNA)
where:
Base-Base interactions energy: -369.359
where: short stacking energy: -185.490
Base-Backbone interact. energy: -1.572
local terms energy: -254.187021
where:
bonds (distance) C4'-P energy: -60.032
bonds (distance) P-C4' energy: -71.590
flat angles C4'-P-C4' energy: -65.793
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -26.887
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: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -477.933484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.933484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.933484 (E_RNA)
where:
Base-Base interactions energy: -242.330
where: short stacking energy: -148.418
Base-Backbone interact. energy: -1.318
local terms energy: -234.285673
where:
bonds (distance) C4'-P energy: -58.044
bonds (distance) P-C4' energy: -71.665
flat angles C4'-P-C4' energy: -64.977
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -12.641
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: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -410.307207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.307207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.307207 (E_RNA)
where:
Base-Base interactions energy: -181.238
where: short stacking energy: -119.146
Base-Backbone interact. energy: -0.050
local terms energy: -229.018787
where:
bonds (distance) C4'-P energy: -66.887
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -51.049
flat angles P-C4'-P energy: -41.869
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: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -303.551189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.551189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.551189 (E_RNA)
where:
Base-Base interactions energy: -110.253
where: short stacking energy: -83.197
Base-Backbone interact. energy: 6.615
local terms energy: -199.913918
where:
bonds (distance) C4'-P energy: -66.870
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -55.974
flat angles P-C4'-P energy: -33.466
tors. eta vs tors. theta energy: 9.318
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: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1252.622175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.622175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.622175 (E_RNA)
where:
Base-Base interactions energy: -833.204
where: short stacking energy: -364.414
Base-Backbone interact. energy: -0.135
local terms energy: -419.283137
where:
bonds (distance) C4'-P energy: -78.435
bonds (distance) P-C4' energy: -77.024
flat angles C4'-P-C4' energy: -83.857
flat angles P-C4'-P energy: -67.862
tors. eta vs tors. theta energy: -112.105
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: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1159.293631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.293631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.293631 (E_RNA)
where:
Base-Base interactions energy: -784.565
where: short stacking energy: -321.910
Base-Backbone interact. energy: -1.371
local terms energy: -373.357828
where:
bonds (distance) C4'-P energy: -73.492
bonds (distance) P-C4' energy: -80.879
flat angles C4'-P-C4' energy: -81.179
flat angles P-C4'-P energy: -53.512
tors. eta vs tors. theta energy: -84.296
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1023.288557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.288557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.288557 (E_RNA)
where:
Base-Base interactions energy: -668.609
where: short stacking energy: -288.272
Base-Backbone interact. energy: -1.498
local terms energy: -353.181999
where:
bonds (distance) C4'-P energy: -71.328
bonds (distance) P-C4' energy: -77.614
flat angles C4'-P-C4' energy: -82.975
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -86.346
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: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -926.175302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.175302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.175302 (E_RNA)
where:
Base-Base interactions energy: -586.007
where: short stacking energy: -276.797
Base-Backbone interact. energy: 0.454
local terms energy: -340.622736
where:
bonds (distance) C4'-P energy: -60.236
bonds (distance) P-C4' energy: -79.944
flat angles C4'-P-C4' energy: -62.997
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: -77.847
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: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -896.492003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.492003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.492003 (E_RNA)
where:
Base-Base interactions energy: -552.750
where: short stacking energy: -288.614
Base-Backbone interact. energy: -0.579
local terms energy: -343.163583
where:
bonds (distance) C4'-P energy: -73.266
bonds (distance) P-C4' energy: -74.455
flat angles C4'-P-C4' energy: -75.903
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: -75.443
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: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -799.021622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.021622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.021622 (E_RNA)
where:
Base-Base interactions energy: -505.116
where: short stacking energy: -237.051
Base-Backbone interact. energy: -0.923
local terms energy: -292.982987
where:
bonds (distance) C4'-P energy: -61.999
bonds (distance) P-C4' energy: -72.437
flat angles C4'-P-C4' energy: -49.027
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: -58.689
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: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -677.241200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.241200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.241200 (E_RNA)
where:
Base-Base interactions energy: -415.314
where: short stacking energy: -202.747
Base-Backbone interact. energy: -0.878
local terms energy: -261.049465
where:
bonds (distance) C4'-P energy: -58.020
bonds (distance) P-C4' energy: -74.505
flat angles C4'-P-C4' energy: -61.313
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -30.961
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: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -519.263482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.263482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.263482 (E_RNA)
where:
Base-Base interactions energy: -240.384
where: short stacking energy: -138.566
Base-Backbone interact. energy: -0.183
local terms energy: -278.696706
where:
bonds (distance) C4'-P energy: -68.231
bonds (distance) P-C4' energy: -78.851
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -57.388
tors. eta vs tors. theta energy: -16.439
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: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -341.317415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.317415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.317415 (E_RNA)
where:
Base-Base interactions energy: -116.981
where: short stacking energy: -101.352
Base-Backbone interact. energy: -0.405
local terms energy: -223.931426
where:
bonds (distance) C4'-P energy: -70.115
bonds (distance) P-C4' energy: -72.946
flat angles C4'-P-C4' energy: -61.645
flat angles P-C4'-P energy: -31.860
tors. eta vs tors. theta energy: 12.635
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: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -383.182644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.182644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.182644 (E_RNA)
where:
Base-Base interactions energy: -179.375
where: short stacking energy: -99.845
Base-Backbone interact. energy: 2.100
local terms energy: -205.908393
where:
bonds (distance) C4'-P energy: -60.608
bonds (distance) P-C4' energy: -75.512
flat angles C4'-P-C4' energy: -62.315
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: 14.425
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: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1238.304820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.304820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.304820 (E_RNA)
where:
Base-Base interactions energy: -819.144
where: short stacking energy: -377.447
Base-Backbone interact. energy: -0.585
local terms energy: -418.575752
where:
bonds (distance) C4'-P energy: -75.785
bonds (distance) P-C4' energy: -89.654
flat angles C4'-P-C4' energy: -86.157
flat angles P-C4'-P energy: -59.952
tors. eta vs tors. theta energy: -107.028
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: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1142.613380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.613380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.613380 (E_RNA)
where:
Base-Base interactions energy: -765.594
where: short stacking energy: -326.360
Base-Backbone interact. energy: -1.140
local terms energy: -375.879458
where:
bonds (distance) C4'-P energy: -71.936
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -90.022
flat angles P-C4'-P energy: -55.720
tors. eta vs tors. theta energy: -87.368
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: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1015.615093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.615093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.615093 (E_RNA)
where:
Base-Base interactions energy: -662.004
where: short stacking energy: -291.728
Base-Backbone interact. energy: -1.472
local terms energy: -352.139616
where:
bonds (distance) C4'-P energy: -73.197
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -84.150
flat angles P-C4'-P energy: -53.554
tors. eta vs tors. theta energy: -74.217
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: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -933.089065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.089065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.089065 (E_RNA)
where:
Base-Base interactions energy: -598.725
where: short stacking energy: -282.235
Base-Backbone interact. energy: 0.500
local terms energy: -334.864419
where:
bonds (distance) C4'-P energy: -66.649
bonds (distance) P-C4' energy: -74.328
flat angles C4'-P-C4' energy: -83.739
flat angles P-C4'-P energy: -42.650
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: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -902.391432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.391432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.391432 (E_RNA)
where:
Base-Base interactions energy: -561.241
where: short stacking energy: -267.071
Base-Backbone interact. energy: -2.180
local terms energy: -338.970399
where:
bonds (distance) C4'-P energy: -62.435
bonds (distance) P-C4' energy: -72.859
flat angles C4'-P-C4' energy: -71.224
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -83.982
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: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -889.060330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.060330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.060330 (E_RNA)
where:
Base-Base interactions energy: -579.482
where: short stacking energy: -239.888
Base-Backbone interact. energy: -2.529
local terms energy: -307.049138
where:
bonds (distance) C4'-P energy: -68.453
bonds (distance) P-C4' energy: -79.487
flat angles C4'-P-C4' energy: -77.217
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -57.674
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: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -729.659893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.659893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.659893 (E_RNA)
where:
Base-Base interactions energy: -432.002
where: short stacking energy: -205.696
Base-Backbone interact. energy: 0.246
local terms energy: -297.903880
where:
bonds (distance) C4'-P energy: -60.947
bonds (distance) P-C4' energy: -70.117
flat angles C4'-P-C4' energy: -75.949
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -43.854
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: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -497.564641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.564641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.564641 (E_RNA)
where:
Base-Base interactions energy: -241.940
where: short stacking energy: -140.009
Base-Backbone interact. energy: -0.843
local terms energy: -254.780975
where:
bonds (distance) C4'-P energy: -69.581
bonds (distance) P-C4' energy: -62.840
flat angles C4'-P-C4' energy: -76.485
flat angles P-C4'-P energy: -35.313
tors. eta vs tors. theta energy: -10.562
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: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -365.931226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.931226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.931226 (E_RNA)
where:
Base-Base interactions energy: -169.508
where: short stacking energy: -90.804
Base-Backbone interact. energy: -1.766
local terms energy: -194.657606
where:
bonds (distance) C4'-P energy: -59.364
bonds (distance) P-C4' energy: -70.897
flat angles C4'-P-C4' energy: -44.500
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: 8.628
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: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -356.652967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.652967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.652967 (E_RNA)
where:
Base-Base interactions energy: -177.888
where: short stacking energy: -85.002
Base-Backbone interact. energy: 2.082
local terms energy: -180.846740
where:
bonds (distance) C4'-P energy: -61.791
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -41.918
flat angles P-C4'-P energy: -35.855
tors. eta vs tors. theta energy: 16.451
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: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1262.415419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.415419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.415419 (E_RNA)
where:
Base-Base interactions energy: -828.437
where: short stacking energy: -380.205
Base-Backbone interact. energy: 2.400
local terms energy: -436.378723
where:
bonds (distance) C4'-P energy: -89.028
bonds (distance) P-C4' energy: -76.473
flat angles C4'-P-C4' energy: -99.826
flat angles P-C4'-P energy: -55.129
tors. eta vs tors. theta energy: -115.923
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: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1116.410185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.410185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.410185 (E_RNA)
where:
Base-Base interactions energy: -743.109
where: short stacking energy: -332.662
Base-Backbone interact. energy: 2.353
local terms energy: -375.654565
where:
bonds (distance) C4'-P energy: -73.435
bonds (distance) P-C4' energy: -71.487
flat angles C4'-P-C4' energy: -85.544
flat angles P-C4'-P energy: -56.536
tors. eta vs tors. theta energy: -88.653
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: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1081.035333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.035333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.035333 (E_RNA)
where:
Base-Base interactions energy: -705.679
where: short stacking energy: -310.227
Base-Backbone interact. energy: -2.561
local terms energy: -372.794792
where:
bonds (distance) C4'-P energy: -65.363
bonds (distance) P-C4' energy: -70.859
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -59.502
tors. eta vs tors. theta energy: -95.415
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: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -940.564983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.564983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.564983 (E_RNA)
where:
Base-Base interactions energy: -607.172
where: short stacking energy: -265.637
Base-Backbone interact. energy: -4.292
local terms energy: -329.101223
where:
bonds (distance) C4'-P energy: -72.822
bonds (distance) P-C4' energy: -66.740
flat angles C4'-P-C4' energy: -68.619
flat angles P-C4'-P energy: -49.767
tors. eta vs tors. theta energy: -71.153
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: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -960.928570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.928570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.928570 (E_RNA)
where:
Base-Base interactions energy: -635.752
where: short stacking energy: -273.926
Base-Backbone interact. energy: -2.775
local terms energy: -322.401071
where:
bonds (distance) C4'-P energy: -66.727
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -70.828
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -69.347
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: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -845.829637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.829637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.829637 (E_RNA)
where:
Base-Base interactions energy: -520.426
where: short stacking energy: -219.422
Base-Backbone interact. energy: -0.452
local terms energy: -324.951400
where:
bonds (distance) C4'-P energy: -73.550
bonds (distance) P-C4' energy: -77.901
flat angles C4'-P-C4' energy: -77.711
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -56.565
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -731.248404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.248404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.248404 (E_RNA)
where:
Base-Base interactions energy: -443.269
where: short stacking energy: -195.149
Base-Backbone interact. energy: -0.707
local terms energy: -287.272559
where:
bonds (distance) C4'-P energy: -59.063
bonds (distance) P-C4' energy: -75.079
flat angles C4'-P-C4' energy: -67.917
flat angles P-C4'-P energy: -46.317
tors. eta vs tors. theta energy: -38.898
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: 8, replica: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -448.493254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.493254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.493254 (E_RNA)
where:
Base-Base interactions energy: -236.899
where: short stacking energy: -145.180
Base-Backbone interact. energy: -1.010
local terms energy: -210.584002
where:
bonds (distance) C4'-P energy: -37.958
bonds (distance) P-C4' energy: -78.551
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -14.754
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: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -351.971717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.971717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.971717 (E_RNA)
where:
Base-Base interactions energy: -126.096
where: short stacking energy: -100.610
Base-Backbone interact. energy: -0.583
local terms energy: -225.292115
where:
bonds (distance) C4'-P energy: -70.060
bonds (distance) P-C4' energy: -67.782
flat angles C4'-P-C4' energy: -60.624
flat angles P-C4'-P energy: -36.850
tors. eta vs tors. theta energy: 10.023
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: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -320.349247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.349247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.349247 (E_RNA)
where:
Base-Base interactions energy: -113.222
where: short stacking energy: -80.296
Base-Backbone interact. energy: -0.650
local terms energy: -206.477168
where:
bonds (distance) C4'-P energy: -70.198
bonds (distance) P-C4' energy: -64.593
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: 11.735
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: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1272.945015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.945015 (E_RNA)
where:
Base-Base interactions energy: -848.829
where: short stacking energy: -372.491
Base-Backbone interact. energy: -2.393
local terms energy: -421.722781
where:
bonds (distance) C4'-P energy: -80.150
bonds (distance) P-C4' energy: -77.945
flat angles C4'-P-C4' energy: -85.474
flat angles P-C4'-P energy: -64.352
tors. eta vs tors. theta energy: -113.802
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: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1104.750236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.750236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.750236 (E_RNA)
where:
Base-Base interactions energy: -709.260
where: short stacking energy: -301.321
Base-Backbone interact. energy: -1.634
local terms energy: -393.855740
where:
bonds (distance) C4'-P energy: -72.120
bonds (distance) P-C4' energy: -85.884
flat angles C4'-P-C4' energy: -82.953
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -97.122
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: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1085.440713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.440713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.440713 (E_RNA)
where:
Base-Base interactions energy: -729.069
where: short stacking energy: -337.445
Base-Backbone interact. energy: 2.454
local terms energy: -358.824921
where:
bonds (distance) C4'-P energy: -62.876
bonds (distance) P-C4' energy: -76.605
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -60.908
tors. eta vs tors. theta energy: -83.492
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: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1023.459393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.459393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.459393 (E_RNA)
where:
Base-Base interactions energy: -669.904
where: short stacking energy: -293.955
Base-Backbone interact. energy: -1.866
local terms energy: -351.689293
where:
bonds (distance) C4'-P energy: -76.710
bonds (distance) P-C4' energy: -70.257
flat angles C4'-P-C4' energy: -80.002
flat angles P-C4'-P energy: -48.895
tors. eta vs tors. theta energy: -75.826
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: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -916.083688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.083688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.083688 (E_RNA)
where:
Base-Base interactions energy: -589.329
where: short stacking energy: -253.714
Base-Backbone interact. energy: -1.657
local terms energy: -325.098054
where:
bonds (distance) C4'-P energy: -74.865
bonds (distance) P-C4' energy: -79.883
flat angles C4'-P-C4' energy: -65.878
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -62.279
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: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -832.968733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.968733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.968733 (E_RNA)
where:
Base-Base interactions energy: -493.716
where: short stacking energy: -240.395
Base-Backbone interact. energy: -1.265
local terms energy: -337.988142
where:
bonds (distance) C4'-P energy: -77.908
bonds (distance) P-C4' energy: -74.961
flat angles C4'-P-C4' energy: -73.435
flat angles P-C4'-P energy: -54.038
tors. eta vs tors. theta energy: -57.645
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: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -818.792197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.792197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.792197 (E_RNA)
where:
Base-Base interactions energy: -501.746
where: short stacking energy: -216.840
Base-Backbone interact. energy: -0.637
local terms energy: -316.409712
where:
bonds (distance) C4'-P energy: -74.412
bonds (distance) P-C4' energy: -77.408
flat angles C4'-P-C4' energy: -70.454
flat angles P-C4'-P energy: -52.432
tors. eta vs tors. theta energy: -41.703
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: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -444.146920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.146920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.146920 (E_RNA)
where:
Base-Base interactions energy: -204.381
where: short stacking energy: -124.987
Base-Backbone interact. energy: 0.890
local terms energy: -240.655892
where:
bonds (distance) C4'-P energy: -59.943
bonds (distance) P-C4' energy: -77.277
flat angles C4'-P-C4' energy: -57.187
flat angles P-C4'-P energy: -35.815
tors. eta vs tors. theta energy: -10.434
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: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -350.530419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.530419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.530419 (E_RNA)
where:
Base-Base interactions energy: -122.226
where: short stacking energy: -117.589
Base-Backbone interact. energy: 1.977
local terms energy: -230.281361
where:
bonds (distance) C4'-P energy: -77.899
bonds (distance) P-C4' energy: -61.582
flat angles C4'-P-C4' energy: -51.739
flat angles P-C4'-P energy: -41.553
tors. eta vs tors. theta energy: 2.491
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: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -337.065345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.065345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.065345 (E_RNA)
where:
Base-Base interactions energy: -147.454
where: short stacking energy: -104.041
Base-Backbone interact. energy: 0.806
local terms energy: -190.417637
where:
bonds (distance) C4'-P energy: -56.998
bonds (distance) P-C4' energy: -67.413
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: 5.010
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: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1288.076732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.076732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.076732 (E_RNA)
where:
Base-Base interactions energy: -856.860
where: short stacking energy: -398.698
Base-Backbone interact. energy: -0.310
local terms energy: -430.906391
where:
bonds (distance) C4'-P energy: -82.666
bonds (distance) P-C4' energy: -83.478
flat angles C4'-P-C4' energy: -87.342
flat angles P-C4'-P energy: -59.729
tors. eta vs tors. theta energy: -117.691
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: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1099.628142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.628142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.628142 (E_RNA)
where:
Base-Base interactions energy: -716.851
where: short stacking energy: -314.081
Base-Backbone interact. energy: -1.966
local terms energy: -380.811313
where:
bonds (distance) C4'-P energy: -72.857
bonds (distance) P-C4' energy: -77.642
flat angles C4'-P-C4' energy: -79.035
flat angles P-C4'-P energy: -55.573
tors. eta vs tors. theta energy: -95.704
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: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1099.656560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.656560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.656560 (E_RNA)
where:
Base-Base interactions energy: -723.888
where: short stacking energy: -304.596
Base-Backbone interact. energy: -2.714
local terms energy: -373.055266
where:
bonds (distance) C4'-P energy: -73.887
bonds (distance) P-C4' energy: -76.313
flat angles C4'-P-C4' energy: -86.008
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -89.650
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: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1041.095849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.095849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.095849 (E_RNA)
where:
Base-Base interactions energy: -688.363
where: short stacking energy: -291.159
Base-Backbone interact. energy: -3.076
local terms energy: -349.657310
where:
bonds (distance) C4'-P energy: -84.177
bonds (distance) P-C4' energy: -80.909
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -48.699
tors. eta vs tors. theta energy: -73.209
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: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -900.290661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.290661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.290661 (E_RNA)
where:
Base-Base interactions energy: -565.601
where: short stacking energy: -264.980
Base-Backbone interact. energy: 3.360
local terms energy: -338.048916
where:
bonds (distance) C4'-P energy: -68.768
bonds (distance) P-C4' energy: -79.401
flat angles C4'-P-C4' energy: -67.317
flat angles P-C4'-P energy: -52.141
tors. eta vs tors. theta energy: -70.421
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -822.463262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.463262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.463262 (E_RNA)
where:
Base-Base interactions energy: -515.315
where: short stacking energy: -248.807
Base-Backbone interact. energy: -3.302
local terms energy: -303.846147
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -79.727
flat angles C4'-P-C4' energy: -72.470
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -60.843
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: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -810.248006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.248006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.248006 (E_RNA)
where:
Base-Base interactions energy: -516.846
where: short stacking energy: -226.840
Base-Backbone interact. energy: -4.330
local terms energy: -289.072703
where:
bonds (distance) C4'-P energy: -64.787
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -70.235
flat angles P-C4'-P energy: -43.993
tors. eta vs tors. theta energy: -57.263
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: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -510.754203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.754203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.754203 (E_RNA)
where:
Base-Base interactions energy: -249.379
where: short stacking energy: -154.614
Base-Backbone interact. energy: -4.184
local terms energy: -257.191452
where:
bonds (distance) C4'-P energy: -60.399
bonds (distance) P-C4' energy: -77.636
flat angles C4'-P-C4' energy: -63.451
flat angles P-C4'-P energy: -30.514
tors. eta vs tors. theta energy: -25.191
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: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -361.819031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.819031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.819031 (E_RNA)
where:
Base-Base interactions energy: -136.055
where: short stacking energy: -132.504
Base-Backbone interact. energy: -0.963
local terms energy: -224.801714
where:
bonds (distance) C4'-P energy: -64.898
bonds (distance) P-C4' energy: -58.682
flat angles C4'-P-C4' energy: -67.917
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -6.778
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: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -350.616445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.616445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.616445 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -93.063
Base-Backbone interact. energy: 3.295
local terms energy: -206.815611
where:
bonds (distance) C4'-P energy: -64.735
bonds (distance) P-C4' energy: -71.128
flat angles C4'-P-C4' energy: -46.977
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: 12.966
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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1281.068666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.068666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.068666 (E_RNA)
where:
Base-Base interactions energy: -851.561
where: short stacking energy: -383.904
Base-Backbone interact. energy: 1.978
local terms energy: -431.485865
where:
bonds (distance) C4'-P energy: -79.248
bonds (distance) P-C4' energy: -90.605
flat angles C4'-P-C4' energy: -92.186
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -109.611
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1101.170466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.170466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.170466 (E_RNA)
where:
Base-Base interactions energy: -720.647
where: short stacking energy: -313.002
Base-Backbone interact. energy: -3.234
local terms energy: -377.290312
where:
bonds (distance) C4'-P energy: -64.253
bonds (distance) P-C4' energy: -84.782
flat angles C4'-P-C4' energy: -72.377
flat angles P-C4'-P energy: -56.096
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: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1120.242162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.242162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.242162 (E_RNA)
where:
Base-Base interactions energy: -739.465
where: short stacking energy: -311.510
Base-Backbone interact. energy: -1.160
local terms energy: -379.616981
where:
bonds (distance) C4'-P energy: -77.385
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -83.856
flat angles P-C4'-P energy: -59.132
tors. eta vs tors. theta energy: -89.942
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: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1010.825401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.825401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.825401 (E_RNA)
where:
Base-Base interactions energy: -628.268
where: short stacking energy: -289.603
Base-Backbone interact. energy: 0.957
local terms energy: -383.514539
where:
bonds (distance) C4'-P energy: -72.858
bonds (distance) P-C4' energy: -73.131
flat angles C4'-P-C4' energy: -87.651
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: -87.356
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: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -894.071049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.071049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.071049 (E_RNA)
where:
Base-Base interactions energy: -551.077
where: short stacking energy: -265.190
Base-Backbone interact. energy: 3.304
local terms energy: -346.297864
where:
bonds (distance) C4'-P energy: -66.040
bonds (distance) P-C4' energy: -74.581
flat angles C4'-P-C4' energy: -81.527
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -76.903
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: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -757.426687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.426687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.426687 (E_RNA)
where:
Base-Base interactions energy: -450.735
where: short stacking energy: -224.483
Base-Backbone interact. energy: 0.951
local terms energy: -307.642494
where:
bonds (distance) C4'-P energy: -59.879
bonds (distance) P-C4' energy: -79.084
flat angles C4'-P-C4' energy: -56.658
flat angles P-C4'-P energy: -53.337
tors. eta vs tors. theta energy: -58.684
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: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -704.482918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.482918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.482918 (E_RNA)
where:
Base-Base interactions energy: -458.763
where: short stacking energy: -200.693
Base-Backbone interact. energy: -0.280
local terms energy: -245.439787
where:
bonds (distance) C4'-P energy: -53.674
bonds (distance) P-C4' energy: -70.134
flat angles C4'-P-C4' energy: -69.837
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -19.662
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: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -464.597320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.597320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.597320 (E_RNA)
where:
Base-Base interactions energy: -232.470
where: short stacking energy: -138.013
Base-Backbone interact. energy: 0.262
local terms energy: -232.389279
where:
bonds (distance) C4'-P energy: -61.997
bonds (distance) P-C4' energy: -72.423
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -35.425
tors. eta vs tors. theta energy: -5.294
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -337.939670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.939670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.939670 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -114.360
Base-Backbone interact. energy: -0.805
local terms energy: -206.690590
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -65.275
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: 4.642
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: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -307.412989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.412989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.412989 (E_RNA)
where:
Base-Base interactions energy: -100.267
where: short stacking energy: -92.280
Base-Backbone interact. energy: 0.232
local terms energy: -207.378066
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -55.528
flat angles P-C4'-P energy: -49.636
tors. eta vs tors. theta energy: 4.934
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: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1278.275622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.275622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.275622 (E_RNA)
where:
Base-Base interactions energy: -861.720
where: short stacking energy: -403.971
Base-Backbone interact. energy: 0.352
local terms energy: -416.906993
where:
bonds (distance) C4'-P energy: -83.374
bonds (distance) P-C4' energy: -80.696
flat angles C4'-P-C4' energy: -87.740
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -113.939
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: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1102.736519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.736519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.736519 (E_RNA)
where:
Base-Base interactions energy: -689.961
where: short stacking energy: -329.924
Base-Backbone interact. energy: 0.587
local terms energy: -413.362497
where:
bonds (distance) C4'-P energy: -81.696
bonds (distance) P-C4' energy: -82.666
flat angles C4'-P-C4' energy: -95.994
flat angles P-C4'-P energy: -53.546
tors. eta vs tors. theta energy: -99.460
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1131.248974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.248974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.248974 (E_RNA)
where:
Base-Base interactions energy: -761.824
where: short stacking energy: -329.783
Base-Backbone interact. energy: -2.745
local terms energy: -366.680070
where:
bonds (distance) C4'-P energy: -61.673
bonds (distance) P-C4' energy: -70.888
flat angles C4'-P-C4' energy: -85.799
flat angles P-C4'-P energy: -60.396
tors. eta vs tors. theta energy: -87.925
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: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1037.287902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.287902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.287902 (E_RNA)
where:
Base-Base interactions energy: -659.733
where: short stacking energy: -282.899
Base-Backbone interact. energy: -1.242
local terms energy: -376.312549
where:
bonds (distance) C4'-P energy: -77.457
bonds (distance) P-C4' energy: -72.538
flat angles C4'-P-C4' energy: -86.691
flat angles P-C4'-P energy: -59.413
tors. eta vs tors. theta energy: -80.214
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: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -877.933002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.933002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.933002 (E_RNA)
where:
Base-Base interactions energy: -550.128
where: short stacking energy: -274.335
Base-Backbone interact. energy: -2.607
local terms energy: -325.198137
where:
bonds (distance) C4'-P energy: -73.005
bonds (distance) P-C4' energy: -69.807
flat angles C4'-P-C4' energy: -80.988
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -62.416
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: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -762.425623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.425623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.425623 (E_RNA)
where:
Base-Base interactions energy: -461.215
where: short stacking energy: -227.390
Base-Backbone interact. energy: -0.027
local terms energy: -301.183332
where:
bonds (distance) C4'-P energy: -69.760
bonds (distance) P-C4' energy: -77.167
flat angles C4'-P-C4' energy: -62.025
flat angles P-C4'-P energy: -54.921
tors. eta vs tors. theta energy: -37.310
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: 44
Temperature: 1.200000
Total energy: -777.251291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.251291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.251291 (E_RNA)
where:
Base-Base interactions energy: -467.028
where: short stacking energy: -225.538
Base-Backbone interact. energy: 0.313
local terms energy: -310.536345
where:
bonds (distance) C4'-P energy: -63.301
bonds (distance) P-C4' energy: -81.463
flat angles C4'-P-C4' energy: -68.480
flat angles P-C4'-P energy: -52.965
tors. eta vs tors. theta energy: -44.327
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: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -452.595417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.595417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.595417 (E_RNA)
where:
Base-Base interactions energy: -216.431
where: short stacking energy: -149.862
Base-Backbone interact. energy: 2.499
local terms energy: -238.663624
where:
bonds (distance) C4'-P energy: -62.312
bonds (distance) P-C4' energy: -61.109
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: -12.431
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -357.335545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.335545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.335545 (E_RNA)
where:
Base-Base interactions energy: -147.453
where: short stacking energy: -116.560
Base-Backbone interact. energy: -1.203
local terms energy: -208.679450
where:
bonds (distance) C4'-P energy: -74.787
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -62.730
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: 8.342
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: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -345.134447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.134447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.134447 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -89.957
Base-Backbone interact. energy: -0.239
local terms energy: -214.787880
where:
bonds (distance) C4'-P energy: -66.175
bonds (distance) P-C4' energy: -74.497
flat angles C4'-P-C4' energy: -51.116
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: 15.889
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: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1274.899590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.899590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.899590 (E_RNA)
where:
Base-Base interactions energy: -843.883
where: short stacking energy: -381.015
Base-Backbone interact. energy: -0.263
local terms energy: -430.752850
where:
bonds (distance) C4'-P energy: -82.127
bonds (distance) P-C4' energy: -80.100
flat angles C4'-P-C4' energy: -92.791
flat angles P-C4'-P energy: -62.134
tors. eta vs tors. theta energy: -113.601
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: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1163.756433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.756433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.756433 (E_RNA)
where:
Base-Base interactions energy: -764.034
where: short stacking energy: -333.986
Base-Backbone interact. energy: 0.536
local terms energy: -400.258939
where:
bonds (distance) C4'-P energy: -89.101
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -86.665
flat angles P-C4'-P energy: -58.068
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: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1053.070681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.070681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.070681 (E_RNA)
where:
Base-Base interactions energy: -680.271
where: short stacking energy: -310.842
Base-Backbone interact. energy: -2.908
local terms energy: -369.891166
where:
bonds (distance) C4'-P energy: -78.945
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -75.514
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -84.964
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1022.799382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.799382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.799382 (E_RNA)
where:
Base-Base interactions energy: -636.876
where: short stacking energy: -279.749
Base-Backbone interact. energy: -2.522
local terms energy: -383.401298
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -78.082
flat angles C4'-P-C4' energy: -84.271
flat angles P-C4'-P energy: -58.258
tors. eta vs tors. theta energy: -83.052
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: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -894.732349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.732349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.732349 (E_RNA)
where:
Base-Base interactions energy: -536.194
where: short stacking energy: -276.775
Base-Backbone interact. energy: -0.402
local terms energy: -358.136460
where:
bonds (distance) C4'-P energy: -54.656
bonds (distance) P-C4' energy: -68.298
flat angles C4'-P-C4' energy: -85.403
flat angles P-C4'-P energy: -57.117
tors. eta vs tors. theta energy: -92.663
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: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -777.910580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.910580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.910580 (E_RNA)
where:
Base-Base interactions energy: -450.011
where: short stacking energy: -242.363
Base-Backbone interact. energy: -1.331
local terms energy: -326.568289
where:
bonds (distance) C4'-P energy: -61.647
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -80.167
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -70.217
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: 45
Temperature: 1.200000
Total energy: -724.040951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.040951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.040951 (E_RNA)
where:
Base-Base interactions energy: -457.260
where: short stacking energy: -186.155
Base-Backbone interact. energy: -0.994
local terms energy: -265.786694
where:
bonds (distance) C4'-P energy: -75.294
bonds (distance) P-C4' energy: -74.522
flat angles C4'-P-C4' energy: -63.827
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -24.011
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: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -383.963596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.963596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.963596 (E_RNA)
where:
Base-Base interactions energy: -142.233
where: short stacking energy: -117.928
Base-Backbone interact. energy: -0.553
local terms energy: -241.177552
where:
bonds (distance) C4'-P energy: -73.340
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -52.160
flat angles P-C4'-P energy: -34.424
tors. eta vs tors. theta energy: -8.342
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: 9, replica: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -394.247687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.247687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.247687 (E_RNA)
where:
Base-Base interactions energy: -166.795
where: short stacking energy: -116.132
Base-Backbone interact. energy: 1.674
local terms energy: -229.126496
where:
bonds (distance) C4'-P energy: -69.609
bonds (distance) P-C4' energy: -80.398
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -35.583
tors. eta vs tors. theta energy: 12.821
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -310.344809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.344809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.344809 (E_RNA)
where:
Base-Base interactions energy: -112.301
where: short stacking energy: -76.707
Base-Backbone interact. energy: 0.189
local terms energy: -198.233272
where:
bonds (distance) C4'-P energy: -59.404
bonds (distance) P-C4' energy: -57.808
flat angles C4'-P-C4' energy: -67.703
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: 24.803
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: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1259.468570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.468570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.468570 (E_RNA)
where:
Base-Base interactions energy: -835.301
where: short stacking energy: -377.889
Base-Backbone interact. energy: 0.739
local terms energy: -424.905839
where:
bonds (distance) C4'-P energy: -82.924
bonds (distance) P-C4' energy: -80.711
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -108.542
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: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1207.555131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.555131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.555131 (E_RNA)
where:
Base-Base interactions energy: -808.191
where: short stacking energy: -346.388
Base-Backbone interact. energy: -1.083
local terms energy: -398.280928
where:
bonds (distance) C4'-P energy: -74.304
bonds (distance) P-C4' energy: -76.989
flat angles C4'-P-C4' energy: -82.698
flat angles P-C4'-P energy: -58.174
tors. eta vs tors. theta energy: -106.116
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: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1074.926092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.926092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.926092 (E_RNA)
where:
Base-Base interactions energy: -695.227
where: short stacking energy: -307.594
Base-Backbone interact. energy: -1.899
local terms energy: -377.799983
where:
bonds (distance) C4'-P energy: -81.421
bonds (distance) P-C4' energy: -69.896
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -56.070
tors. eta vs tors. theta energy: -90.975
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: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -985.093334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.093334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.093334 (E_RNA)
where:
Base-Base interactions energy: -629.798
where: short stacking energy: -291.525
Base-Backbone interact. energy: -0.736
local terms energy: -354.559041
where:
bonds (distance) C4'-P energy: -70.651
bonds (distance) P-C4' energy: -80.352
flat angles C4'-P-C4' energy: -67.067
flat angles P-C4'-P energy: -54.943
tors. eta vs tors. theta energy: -81.546
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -892.833153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.833153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.833153 (E_RNA)
where:
Base-Base interactions energy: -565.303
where: short stacking energy: -285.130
Base-Backbone interact. energy: -0.413
local terms energy: -327.116650
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -76.501
flat angles C4'-P-C4' energy: -66.620
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -75.726
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: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -766.653224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.653224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.653224 (E_RNA)
where:
Base-Base interactions energy: -444.365
where: short stacking energy: -201.987
Base-Backbone interact. energy: -1.181
local terms energy: -321.107763
where:
bonds (distance) C4'-P energy: -71.983
bonds (distance) P-C4' energy: -70.525
flat angles C4'-P-C4' energy: -79.743
flat angles P-C4'-P energy: -42.973
tors. eta vs tors. theta energy: -55.884
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: 46
Temperature: 1.200000
Total energy: -753.166646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.166646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.166646 (E_RNA)
where:
Base-Base interactions energy: -480.748
where: short stacking energy: -211.195
Base-Backbone interact. energy: 0.785
local terms energy: -273.203465
where:
bonds (distance) C4'-P energy: -70.720
bonds (distance) P-C4' energy: -66.669
flat angles C4'-P-C4' energy: -65.954
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: -34.829
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: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -391.979652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.979652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.979652 (E_RNA)
where:
Base-Base interactions energy: -174.592
where: short stacking energy: -121.327
Base-Backbone interact. energy: 1.048
local terms energy: -218.435346
where:
bonds (distance) C4'-P energy: -68.763
bonds (distance) P-C4' energy: -69.201
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -49.949
tors. eta vs tors. theta energy: 3.327
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: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -448.844324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.844324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.844324 (E_RNA)
where:
Base-Base interactions energy: -226.416
where: short stacking energy: -115.761
Base-Backbone interact. energy: 3.805
local terms energy: -226.232638
where:
bonds (distance) C4'-P energy: -75.399
bonds (distance) P-C4' energy: -66.239
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: 10.634
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: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -302.765458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.765458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.765458 (E_RNA)
where:
Base-Base interactions energy: -107.949
where: short stacking energy: -84.340
Base-Backbone interact. energy: -2.362
local terms energy: -192.454686
where:
bonds (distance) C4'-P energy: -60.527
bonds (distance) P-C4' energy: -67.570
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -29.725
tors. eta vs tors. theta energy: 23.706
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: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1234.427589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.427589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.427589 (E_RNA)
where:
Base-Base interactions energy: -815.108
where: short stacking energy: -364.243
Base-Backbone interact. energy: -0.766
local terms energy: -418.553564
where:
bonds (distance) C4'-P energy: -81.072
bonds (distance) P-C4' energy: -82.309
flat angles C4'-P-C4' energy: -92.250
flat angles P-C4'-P energy: -60.895
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: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1214.381533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.381533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.381533 (E_RNA)
where:
Base-Base interactions energy: -801.616
where: short stacking energy: -342.375
Base-Backbone interact. energy: 0.556
local terms energy: -413.321932
where:
bonds (distance) C4'-P energy: -80.952
bonds (distance) P-C4' energy: -84.617
flat angles C4'-P-C4' energy: -88.108
flat angles P-C4'-P energy: -59.610
tors. eta vs tors. theta energy: -100.034
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: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1059.843666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.843666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.843666 (E_RNA)
where:
Base-Base interactions energy: -679.691
where: short stacking energy: -316.468
Base-Backbone interact. energy: -0.851
local terms energy: -379.301531
where:
bonds (distance) C4'-P energy: -84.986
bonds (distance) P-C4' energy: -67.514
flat angles C4'-P-C4' energy: -84.415
flat angles P-C4'-P energy: -54.057
tors. eta vs tors. theta energy: -88.330
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: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -999.127902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.127902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.127902 (E_RNA)
where:
Base-Base interactions energy: -634.719
where: short stacking energy: -289.477
Base-Backbone interact. energy: 0.892
local terms energy: -365.300279
where:
bonds (distance) C4'-P energy: -76.107
bonds (distance) P-C4' energy: -87.833
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -77.037
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -907.790983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.790983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.790983 (E_RNA)
where:
Base-Base interactions energy: -559.433
where: short stacking energy: -269.895
Base-Backbone interact. energy: 2.405
local terms energy: -350.762956
where:
bonds (distance) C4'-P energy: -76.921
bonds (distance) P-C4' energy: -69.741
flat angles C4'-P-C4' energy: -79.082
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -72.515
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: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -799.650079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.650079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.650079 (E_RNA)
where:
Base-Base interactions energy: -500.287
where: short stacking energy: -216.494
Base-Backbone interact. energy: 0.382
local terms energy: -299.745968
where:
bonds (distance) C4'-P energy: -70.835
bonds (distance) P-C4' energy: -77.543
flat angles C4'-P-C4' energy: -55.976
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -50.091
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: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -678.828348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.828348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.828348 (E_RNA)
where:
Base-Base interactions energy: -385.853
where: short stacking energy: -209.525
Base-Backbone interact. energy: -2.834
local terms energy: -290.141405
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -64.609
flat angles C4'-P-C4' energy: -74.088
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -46.100
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: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -430.220360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.220360 (E_RNA)
where:
Base-Base interactions energy: -199.732
where: short stacking energy: -96.170
Base-Backbone interact. energy: 0.366
local terms energy: -230.854432
where:
bonds (distance) C4'-P energy: -68.985
bonds (distance) P-C4' energy: -66.896
flat angles C4'-P-C4' energy: -63.906
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: 10.481
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: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -367.723326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.723326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.723326 (E_RNA)
where:
Base-Base interactions energy: -146.908
where: short stacking energy: -106.596
Base-Backbone interact. energy: 2.249
local terms energy: -223.064073
where:
bonds (distance) C4'-P energy: -71.449
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -55.912
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: 12.195
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: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -320.560851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.560851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.560851 (E_RNA)
where:
Base-Base interactions energy: -103.621
where: short stacking energy: -87.575
Base-Backbone interact. energy: -0.232
local terms energy: -216.707349
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -67.474
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: 11.555
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: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1255.593940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.593940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.593940 (E_RNA)
where:
Base-Base interactions energy: -825.510
where: short stacking energy: -377.073
Base-Backbone interact. energy: -1.553
local terms energy: -428.531110
where:
bonds (distance) C4'-P energy: -78.144
bonds (distance) P-C4' energy: -83.032
flat angles C4'-P-C4' energy: -95.057
flat angles P-C4'-P energy: -63.562
tors. eta vs tors. theta energy: -108.736
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: 48
Temperature: 0.950000
Total energy: -1189.108967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.108967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.108967 (E_RNA)
where:
Base-Base interactions energy: -800.684
where: short stacking energy: -351.618
Base-Backbone interact. energy: -1.997
local terms energy: -386.427857
where:
bonds (distance) C4'-P energy: -69.248
bonds (distance) P-C4' energy: -83.360
flat angles C4'-P-C4' energy: -76.745
flat angles P-C4'-P energy: -50.282
tors. eta vs tors. theta energy: -106.793
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1042.124646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.124646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.124646 (E_RNA)
where:
Base-Base interactions energy: -684.794
where: short stacking energy: -285.188
Base-Backbone interact. energy: -0.150
local terms energy: -357.180888
where:
bonds (distance) C4'-P energy: -59.977
bonds (distance) P-C4' energy: -75.731
flat angles C4'-P-C4' energy: -85.370
flat angles P-C4'-P energy: -54.226
tors. eta vs tors. theta energy: -81.876
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: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1009.394000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.394000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.394000 (E_RNA)
where:
Base-Base interactions energy: -648.185
where: short stacking energy: -297.009
Base-Backbone interact. energy: -2.458
local terms energy: -358.751030
where:
bonds (distance) C4'-P energy: -66.455
bonds (distance) P-C4' energy: -84.008
flat angles C4'-P-C4' energy: -84.867
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -78.365
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: 48
Temperature: 1.100000
Total energy: -920.137559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.137559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.137559 (E_RNA)
where:
Base-Base interactions energy: -577.572
where: short stacking energy: -274.032
Base-Backbone interact. energy: -0.789
local terms energy: -341.776480
where:
bonds (distance) C4'-P energy: -72.217
bonds (distance) P-C4' energy: -67.529
flat angles C4'-P-C4' energy: -76.277
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -80.018
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: 48
Temperature: 1.150000
Total energy: -807.527934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.527934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.527934 (E_RNA)
where:
Base-Base interactions energy: -521.756
where: short stacking energy: -243.956
Base-Backbone interact. energy: -1.155
local terms energy: -284.616214
where:
bonds (distance) C4'-P energy: -59.672
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -67.481
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -57.220
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: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -661.125532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.125532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.125532 (E_RNA)
where:
Base-Base interactions energy: -362.746
where: short stacking energy: -199.090
Base-Backbone interact. energy: -0.907
local terms energy: -297.472627
where:
bonds (distance) C4'-P energy: -66.352
bonds (distance) P-C4' energy: -67.949
flat angles C4'-P-C4' energy: -76.725
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -42.988
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: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -496.766873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.766873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.766873 (E_RNA)
where:
Base-Base interactions energy: -266.616
where: short stacking energy: -136.157
Base-Backbone interact. energy: 2.586
local terms energy: -232.737301
where:
bonds (distance) C4'-P energy: -55.040
bonds (distance) P-C4' energy: -65.485
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -49.207
tors. eta vs tors. theta energy: -1.415
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: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -327.458276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.458276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.458276 (E_RNA)
where:
Base-Base interactions energy: -103.882
where: short stacking energy: -95.426
Base-Backbone interact. energy: 0.064
local terms energy: -223.640611
where:
bonds (distance) C4'-P energy: -79.053
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -58.059
flat angles P-C4'-P energy: -30.123
tors. eta vs tors. theta energy: 14.428
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: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -327.667397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.667397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.667397 (E_RNA)
where:
Base-Base interactions energy: -115.787
where: short stacking energy: -100.721
Base-Backbone interact. energy: 0.769
local terms energy: -212.649218
where:
bonds (distance) C4'-P energy: -55.107
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: 4.676
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: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1227.652876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.652876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.652876 (E_RNA)
where:
Base-Base interactions energy: -789.921
where: short stacking energy: -350.231
Base-Backbone interact. energy: -0.591
local terms energy: -437.141017
where:
bonds (distance) C4'-P energy: -91.345
bonds (distance) P-C4' energy: -93.223
flat angles C4'-P-C4' energy: -84.006
flat angles P-C4'-P energy: -63.507
tors. eta vs tors. theta energy: -105.061
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: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1202.928887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.928887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.928887 (E_RNA)
where:
Base-Base interactions energy: -792.650
where: short stacking energy: -334.139
Base-Backbone interact. energy: 0.848
local terms energy: -411.126180
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -72.809
flat angles C4'-P-C4' energy: -93.717
flat angles P-C4'-P energy: -65.637
tors. eta vs tors. theta energy: -102.421
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1009.306404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.306404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.306404 (E_RNA)
where:
Base-Base interactions energy: -657.140
where: short stacking energy: -314.737
Base-Backbone interact. energy: 3.011
local terms energy: -355.177360
where:
bonds (distance) C4'-P energy: -70.240
bonds (distance) P-C4' energy: -76.218
flat angles C4'-P-C4' energy: -79.089
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -85.319
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: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1011.182722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.182722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.182722 (E_RNA)
where:
Base-Base interactions energy: -661.262
where: short stacking energy: -269.826
Base-Backbone interact. energy: 4.344
local terms energy: -354.264762
where:
bonds (distance) C4'-P energy: -73.751
bonds (distance) P-C4' energy: -76.335
flat angles C4'-P-C4' energy: -79.022
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -82.145
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: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -904.988484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.988484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.988484 (E_RNA)
where:
Base-Base interactions energy: -552.687
where: short stacking energy: -257.304
Base-Backbone interact. energy: -1.451
local terms energy: -350.850907
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -74.957
flat angles C4'-P-C4' energy: -81.093
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -78.474
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: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -824.425880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.425880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.425880 (E_RNA)
where:
Base-Base interactions energy: -514.030
where: short stacking energy: -244.583
Base-Backbone interact. energy: -1.930
local terms energy: -308.465986
where:
bonds (distance) C4'-P energy: -72.621
bonds (distance) P-C4' energy: -71.900
flat angles C4'-P-C4' energy: -74.913
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -52.345
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: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -639.819105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.819105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.819105 (E_RNA)
where:
Base-Base interactions energy: -351.614
where: short stacking energy: -170.643
Base-Backbone interact. energy: -0.984
local terms energy: -287.220973
where:
bonds (distance) C4'-P energy: -65.671
bonds (distance) P-C4' energy: -80.845
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -22.461
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: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -628.373082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.373082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.373082 (E_RNA)
where:
Base-Base interactions energy: -360.098
where: short stacking energy: -171.546
Base-Backbone interact. energy: -1.499
local terms energy: -266.775669
where:
bonds (distance) C4'-P energy: -69.314
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -28.513
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: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -347.710371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.710371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.710371 (E_RNA)
where:
Base-Base interactions energy: -135.905
where: short stacking energy: -89.702
Base-Backbone interact. energy: -1.012
local terms energy: -210.792803
where:
bonds (distance) C4'-P energy: -67.204
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -52.035
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: 12.559
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: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -311.957071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.957071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.957071 (E_RNA)
where:
Base-Base interactions energy: -104.357
where: short stacking energy: -81.264
Base-Backbone interact. energy: 0.879
local terms energy: -208.479123
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -80.225
flat angles C4'-P-C4' energy: -41.939
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: 8.798
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: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1250.562094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.562094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.562094 (E_RNA)
where:
Base-Base interactions energy: -831.465
where: short stacking energy: -345.866
Base-Backbone interact. energy: -0.797
local terms energy: -418.300527
where:
bonds (distance) C4'-P energy: -83.329
bonds (distance) P-C4' energy: -83.120
flat angles C4'-P-C4' energy: -86.920
flat angles P-C4'-P energy: -53.824
tors. eta vs tors. theta energy: -111.107
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: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1199.724037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.724037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.724037 (E_RNA)
where:
Base-Base interactions energy: -797.508
where: short stacking energy: -356.362
Base-Backbone interact. energy: -0.444
local terms energy: -401.772256
where:
bonds (distance) C4'-P energy: -80.861
bonds (distance) P-C4' energy: -77.883
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -51.499
tors. eta vs tors. theta energy: -102.487
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: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1019.506660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.506660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.506660 (E_RNA)
where:
Base-Base interactions energy: -667.858
where: short stacking energy: -287.043
Base-Backbone interact. energy: -1.562
local terms energy: -350.086770
where:
bonds (distance) C4'-P energy: -80.234
bonds (distance) P-C4' energy: -83.671
flat angles C4'-P-C4' energy: -63.909
flat angles P-C4'-P energy: -47.642
tors. eta vs tors. theta energy: -74.631
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: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1015.916516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.916516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.916516 (E_RNA)
where:
Base-Base interactions energy: -643.998
where: short stacking energy: -285.980
Base-Backbone interact. energy: -2.985
local terms energy: -368.932685
where:
bonds (distance) C4'-P energy: -85.993
bonds (distance) P-C4' energy: -77.797
flat angles C4'-P-C4' energy: -77.209
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -86.500
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: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -939.779203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.779203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.779203 (E_RNA)
where:
Base-Base interactions energy: -608.304
where: short stacking energy: -275.149
Base-Backbone interact. energy: -0.398
local terms energy: -331.077113
where:
bonds (distance) C4'-P energy: -80.499
bonds (distance) P-C4' energy: -71.693
flat angles C4'-P-C4' energy: -73.800
flat angles P-C4'-P energy: -50.684
tors. eta vs tors. theta energy: -54.400
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: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -928.025622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.025622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.025622 (E_RNA)
where:
Base-Base interactions energy: -615.897
where: short stacking energy: -258.771
Base-Backbone interact. energy: -2.618
local terms energy: -309.510696
where:
bonds (distance) C4'-P energy: -62.027
bonds (distance) P-C4' energy: -70.058
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -71.631
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: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -632.524298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.524298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.524298 (E_RNA)
where:
Base-Base interactions energy: -358.177
where: short stacking energy: -169.492
Base-Backbone interact. energy: -1.294
local terms energy: -273.053394
where:
bonds (distance) C4'-P energy: -71.063
bonds (distance) P-C4' energy: -78.870
flat angles C4'-P-C4' energy: -65.419
flat angles P-C4'-P energy: -39.237
tors. eta vs tors. theta energy: -18.465
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: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -510.405373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.405373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.405373 (E_RNA)
where:
Base-Base interactions energy: -253.428
where: short stacking energy: -152.624
Base-Backbone interact. energy: 2.038
local terms energy: -259.014730
where:
bonds (distance) C4'-P energy: -62.055
bonds (distance) P-C4' energy: -73.761
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -42.850
tors. eta vs tors. theta energy: -23.283
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: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -344.447129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.447129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.447129 (E_RNA)
where:
Base-Base interactions energy: -130.339
where: short stacking energy: -114.827
Base-Backbone interact. energy: -2.681
local terms energy: -211.426855
where:
bonds (distance) C4'-P energy: -64.970
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: 4.476
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: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -307.118960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.118960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.118960 (E_RNA)
where:
Base-Base interactions energy: -96.948
where: short stacking energy: -73.860
Base-Backbone interact. energy: 1.833
local terms energy: -212.004367
where:
bonds (distance) C4'-P energy: -73.443
bonds (distance) P-C4' energy: -72.637
flat angles C4'-P-C4' energy: -57.242
flat angles P-C4'-P energy: -37.248
tors. eta vs tors. theta energy: 28.565
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: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1250.504607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.504607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.504607 (E_RNA)
where:
Base-Base interactions energy: -837.990
where: short stacking energy: -354.671
Base-Backbone interact. energy: -2.205
local terms energy: -410.309022
where:
bonds (distance) C4'-P energy: -70.136
bonds (distance) P-C4' energy: -86.330
flat angles C4'-P-C4' energy: -87.103
flat angles P-C4'-P energy: -54.707
tors. eta vs tors. theta energy: -112.033
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: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1166.038988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.038988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.038988 (E_RNA)
where:
Base-Base interactions energy: -776.312
where: short stacking energy: -357.446
Base-Backbone interact. energy: -2.559
local terms energy: -387.167592
where:
bonds (distance) C4'-P energy: -71.944
bonds (distance) P-C4' energy: -77.444
flat angles C4'-P-C4' energy: -80.714
flat angles P-C4'-P energy: -60.128
tors. eta vs tors. theta energy: -96.937
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: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1034.304946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.304946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.304946 (E_RNA)
where:
Base-Base interactions energy: -668.984
where: short stacking energy: -309.240
Base-Backbone interact. energy: 1.199
local terms energy: -366.520197
where:
bonds (distance) C4'-P energy: -77.257
bonds (distance) P-C4' energy: -72.507
flat angles C4'-P-C4' energy: -82.074
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -84.692
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: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1008.176600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.176600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.176600 (E_RNA)
where:
Base-Base interactions energy: -654.021
where: short stacking energy: -278.960
Base-Backbone interact. energy: -1.897
local terms energy: -352.258989
where:
bonds (distance) C4'-P energy: -69.232
bonds (distance) P-C4' energy: -82.442
flat angles C4'-P-C4' energy: -80.084
flat angles P-C4'-P energy: -50.257
tors. eta vs tors. theta energy: -70.244
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -933.870236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.870236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.870236 (E_RNA)
where:
Base-Base interactions energy: -590.078
where: short stacking energy: -276.861
Base-Backbone interact. energy: -1.506
local terms energy: -342.286724
where:
bonds (distance) C4'-P energy: -73.293
bonds (distance) P-C4' energy: -73.781
flat angles C4'-P-C4' energy: -73.533
flat angles P-C4'-P energy: -41.407
tors. eta vs tors. theta energy: -80.272
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: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -914.013303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.013303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.013303 (E_RNA)
where:
Base-Base interactions energy: -595.985
where: short stacking energy: -261.918
Base-Backbone interact. energy: -0.336
local terms energy: -317.692695
where:
bonds (distance) C4'-P energy: -60.782
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -81.030
flat angles P-C4'-P energy: -51.117
tors. eta vs tors. theta energy: -65.662
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: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -694.057162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.057162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.057162 (E_RNA)
where:
Base-Base interactions energy: -436.414
where: short stacking energy: -194.220
Base-Backbone interact. energy: -0.754
local terms energy: -256.889801
where:
bonds (distance) C4'-P energy: -60.737
bonds (distance) P-C4' energy: -69.797
flat angles C4'-P-C4' energy: -65.215
flat angles P-C4'-P energy: -22.982
tors. eta vs tors. theta energy: -38.159
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: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -494.302079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.302079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.302079 (E_RNA)
where:
Base-Base interactions energy: -216.449
where: short stacking energy: -136.623
Base-Backbone interact. energy: 1.400
local terms energy: -279.253821
where:
bonds (distance) C4'-P energy: -72.210
bonds (distance) P-C4' energy: -67.887
flat angles C4'-P-C4' energy: -74.473
flat angles P-C4'-P energy: -50.343
tors. eta vs tors. theta energy: -14.341
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: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -345.045653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.045653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.045653 (E_RNA)
where:
Base-Base interactions energy: -117.692
where: short stacking energy: -84.144
Base-Backbone interact. energy: -2.392
local terms energy: -224.961895
where:
bonds (distance) C4'-P energy: -59.303
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: 2.132
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: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -338.932647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.932647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.932647 (E_RNA)
where:
Base-Base interactions energy: -127.043
where: short stacking energy: -88.527
Base-Backbone interact. energy: -0.319
local terms energy: -211.570515
where:
bonds (distance) C4'-P energy: -49.095
bonds (distance) P-C4' energy: -70.925
flat angles C4'-P-C4' energy: -79.767
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: 18.758
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: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1273.315413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.315413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.315413 (E_RNA)
where:
Base-Base interactions energy: -850.819
where: short stacking energy: -361.547
Base-Backbone interact. energy: -3.134
local terms energy: -419.363111
where:
bonds (distance) C4'-P energy: -81.412
bonds (distance) P-C4' energy: -79.202
flat angles C4'-P-C4' energy: -93.029
flat angles P-C4'-P energy: -58.424
tors. eta vs tors. theta energy: -107.297
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: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1186.259962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.259962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.259962 (E_RNA)
where:
Base-Base interactions energy: -782.564
where: short stacking energy: -355.990
Base-Backbone interact. energy: -2.787
local terms energy: -400.908605
where:
bonds (distance) C4'-P energy: -83.966
bonds (distance) P-C4' energy: -72.619
flat angles C4'-P-C4' energy: -93.790
flat angles P-C4'-P energy: -51.283
tors. eta vs tors. theta energy: -99.250
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: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1024.748069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.748069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.748069 (E_RNA)
where:
Base-Base interactions energy: -660.802
where: short stacking energy: -272.520
Base-Backbone interact. energy: -4.629
local terms energy: -359.317390
where:
bonds (distance) C4'-P energy: -63.463
bonds (distance) P-C4' energy: -78.824
flat angles C4'-P-C4' energy: -86.616
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -76.751
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: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1055.017770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.017770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.017770 (E_RNA)
where:
Base-Base interactions energy: -699.935
where: short stacking energy: -296.007
Base-Backbone interact. energy: 1.655
local terms energy: -356.736985
where:
bonds (distance) C4'-P energy: -65.201
bonds (distance) P-C4' energy: -69.413
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -66.443
tors. eta vs tors. theta energy: -78.709
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: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -958.713983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.713983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.713983 (E_RNA)
where:
Base-Base interactions energy: -598.665
where: short stacking energy: -268.919
Base-Backbone interact. energy: -2.119
local terms energy: -357.929962
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -83.468
flat angles C4'-P-C4' energy: -82.963
flat angles P-C4'-P energy: -53.534
tors. eta vs tors. theta energy: -72.475
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: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -892.742738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.742738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.742738 (E_RNA)
where:
Base-Base interactions energy: -572.067
where: short stacking energy: -259.363
Base-Backbone interact. energy: -1.146
local terms energy: -319.529641
where:
bonds (distance) C4'-P energy: -70.629
bonds (distance) P-C4' energy: -60.207
flat angles C4'-P-C4' energy: -80.518
flat angles P-C4'-P energy: -48.735
tors. eta vs tors. theta energy: -59.440
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: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -692.220455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.220455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.220455 (E_RNA)
where:
Base-Base interactions energy: -430.763
where: short stacking energy: -192.534
Base-Backbone interact. energy: -0.066
local terms energy: -261.391517
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -71.859
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -40.534
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: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -524.852191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.852191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.852191 (E_RNA)
where:
Base-Base interactions energy: -296.873
where: short stacking energy: -135.101
Base-Backbone interact. energy: 3.860
local terms energy: -231.839263
where:
bonds (distance) C4'-P energy: -65.064
bonds (distance) P-C4' energy: -78.623
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -39.278
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: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -337.841295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.841295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.841295 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.278
local terms energy: -215.978660
where:
bonds (distance) C4'-P energy: -59.968
bonds (distance) P-C4' energy: -64.446
flat angles C4'-P-C4' energy: -65.605
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: 7.295
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: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -315.874087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.874087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.874087 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -100.908
Base-Backbone interact. energy: -0.696
local terms energy: -199.163200
where:
bonds (distance) C4'-P energy: -53.261
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -54.792
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: 16.022
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: 53
Temperature: 0.900000
Total energy: -1268.927958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.927958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.927958 (E_RNA)
where:
Base-Base interactions energy: -866.175
where: short stacking energy: -370.413
Base-Backbone interact. energy: -0.690
local terms energy: -402.062523
where:
bonds (distance) C4'-P energy: -75.189
bonds (distance) P-C4' energy: -77.946
flat angles C4'-P-C4' energy: -88.710
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: -112.380
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: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1203.983715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.983715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.983715 (E_RNA)
where:
Base-Base interactions energy: -786.590
where: short stacking energy: -369.603
Base-Backbone interact. energy: -0.614
local terms energy: -416.779692
where:
bonds (distance) C4'-P energy: -87.368
bonds (distance) P-C4' energy: -77.767
flat angles C4'-P-C4' energy: -84.846
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -108.229
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: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1009.289985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.289985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.289985 (E_RNA)
where:
Base-Base interactions energy: -661.000
where: short stacking energy: -286.437
Base-Backbone interact. energy: -2.475
local terms energy: -345.814615
where:
bonds (distance) C4'-P energy: -70.858
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -79.469
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -79.012
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: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1033.070841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.070841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.070841 (E_RNA)
where:
Base-Base interactions energy: -664.371
where: short stacking energy: -295.959
Base-Backbone interact. energy: 2.091
local terms energy: -370.790468
where:
bonds (distance) C4'-P energy: -73.331
bonds (distance) P-C4' energy: -77.383
flat angles C4'-P-C4' energy: -69.230
flat angles P-C4'-P energy: -60.848
tors. eta vs tors. theta energy: -89.998
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: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -881.164846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.164846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.164846 (E_RNA)
where:
Base-Base interactions energy: -554.591
where: short stacking energy: -225.669
Base-Backbone interact. energy: -1.263
local terms energy: -325.311383
where:
bonds (distance) C4'-P energy: -70.195
bonds (distance) P-C4' energy: -85.359
flat angles C4'-P-C4' energy: -72.130
flat angles P-C4'-P energy: -38.060
tors. eta vs tors. theta energy: -59.568
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: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -897.671805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.671805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.671805 (E_RNA)
where:
Base-Base interactions energy: -578.501
where: short stacking energy: -240.161
Base-Backbone interact. energy: -1.344
local terms energy: -317.826758
where:
bonds (distance) C4'-P energy: -65.347
bonds (distance) P-C4' energy: -67.893
flat angles C4'-P-C4' energy: -78.937
flat angles P-C4'-P energy: -46.497
tors. eta vs tors. theta energy: -59.153
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: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -740.900171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.900171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.900171 (E_RNA)
where:
Base-Base interactions energy: -431.694
where: short stacking energy: -181.203
Base-Backbone interact. energy: -0.621
local terms energy: -308.584991
where:
bonds (distance) C4'-P energy: -60.121
bonds (distance) P-C4' energy: -77.606
flat angles C4'-P-C4' energy: -73.435
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -49.426
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: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -524.505476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.505476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.505476 (E_RNA)
where:
Base-Base interactions energy: -262.851
where: short stacking energy: -141.367
Base-Backbone interact. energy: -1.556
local terms energy: -260.098903
where:
bonds (distance) C4'-P energy: -65.272
bonds (distance) P-C4' energy: -82.037
flat angles C4'-P-C4' energy: -59.728
flat angles P-C4'-P energy: -31.677
tors. eta vs tors. theta energy: -21.384
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: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -358.514238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.514238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.514238 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -113.296
Base-Backbone interact. energy: -1.819
local terms energy: -204.630977
where:
bonds (distance) C4'-P energy: -63.582
bonds (distance) P-C4' energy: -69.967
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -33.117
tors. eta vs tors. theta energy: 4.231
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: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -302.569464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.569464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.569464 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -79.601
Base-Backbone interact. energy: 0.239
local terms energy: -184.544888
where:
bonds (distance) C4'-P energy: -70.146
bonds (distance) P-C4' energy: -57.164
flat angles C4'-P-C4' energy: -53.304
flat angles P-C4'-P energy: -34.902
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: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1281.099569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.099569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.099569 (E_RNA)
where:
Base-Base interactions energy: -860.855
where: short stacking energy: -375.536
Base-Backbone interact. energy: -2.244
local terms energy: -418.001187
where:
bonds (distance) C4'-P energy: -89.390
bonds (distance) P-C4' energy: -72.780
flat angles C4'-P-C4' energy: -94.812
flat angles P-C4'-P energy: -48.285
tors. eta vs tors. theta energy: -112.733
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: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1182.414667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.414667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.414667 (E_RNA)
where:
Base-Base interactions energy: -792.887
where: short stacking energy: -367.022
Base-Backbone interact. energy: 3.634
local terms energy: -393.161831
where:
bonds (distance) C4'-P energy: -79.199
bonds (distance) P-C4' energy: -69.204
flat angles C4'-P-C4' energy: -86.294
flat angles P-C4'-P energy: -59.948
tors. eta vs tors. theta energy: -98.516
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: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1049.880910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.880910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.880910 (E_RNA)
where:
Base-Base interactions energy: -676.693
where: short stacking energy: -293.027
Base-Backbone interact. energy: -1.395
local terms energy: -371.792132
where:
bonds (distance) C4'-P energy: -82.845
bonds (distance) P-C4' energy: -73.089
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -50.554
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: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -983.065063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.065063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.065063 (E_RNA)
where:
Base-Base interactions energy: -609.853
where: short stacking energy: -276.468
Base-Backbone interact. energy: -3.660
local terms energy: -369.552473
where:
bonds (distance) C4'-P energy: -86.686
bonds (distance) P-C4' energy: -74.098
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -57.583
tors. eta vs tors. theta energy: -73.041
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: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1011.806175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.806175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.806175 (E_RNA)
where:
Base-Base interactions energy: -665.291
where: short stacking energy: -307.692
Base-Backbone interact. energy: -0.126
local terms energy: -346.389420
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -77.371
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: -84.952
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: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -827.418544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.418544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.418544 (E_RNA)
where:
Base-Base interactions energy: -515.335
where: short stacking energy: -241.962
Base-Backbone interact. energy: -1.790
local terms energy: -310.293240
where:
bonds (distance) C4'-P energy: -66.469
bonds (distance) P-C4' energy: -72.753
flat angles C4'-P-C4' energy: -69.761
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -56.451
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -738.126416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.126416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.126416 (E_RNA)
where:
Base-Base interactions energy: -459.303
where: short stacking energy: -193.661
Base-Backbone interact. energy: -2.426
local terms energy: -276.397827
where:
bonds (distance) C4'-P energy: -67.980
bonds (distance) P-C4' energy: -65.351
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -39.793
tors. eta vs tors. theta energy: -36.304
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: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -470.982089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.982089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.982089 (E_RNA)
where:
Base-Base interactions energy: -218.840
where: short stacking energy: -121.538
Base-Backbone interact. energy: 7.930
local terms energy: -260.072092
where:
bonds (distance) C4'-P energy: -70.813
bonds (distance) P-C4' energy: -78.108
flat angles C4'-P-C4' energy: -54.726
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -5.856
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -374.157038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.157038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.157038 (E_RNA)
where:
Base-Base interactions energy: -147.389
where: short stacking energy: -110.277
Base-Backbone interact. energy: -0.692
local terms energy: -226.075544
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -66.283
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -46.608
tors. eta vs tors. theta energy: 1.659
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: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -330.824954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.824954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.824954 (E_RNA)
where:
Base-Base interactions energy: -132.064
where: short stacking energy: -95.231
Base-Backbone interact. energy: 0.617
local terms energy: -199.377849
where:
bonds (distance) C4'-P energy: -57.740
bonds (distance) P-C4' energy: -66.274
flat angles C4'-P-C4' energy: -61.471
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: 14.589
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: 55
Temperature: 0.900000
Total energy: -1284.306850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.306850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.306850 (E_RNA)
where:
Base-Base interactions energy: -879.598
where: short stacking energy: -370.154
Base-Backbone interact. energy: -3.090
local terms energy: -401.618550
where:
bonds (distance) C4'-P energy: -81.547
bonds (distance) P-C4' energy: -79.853
flat angles C4'-P-C4' energy: -82.722
flat angles P-C4'-P energy: -47.423
tors. eta vs tors. theta energy: -110.073
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: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1204.263414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.263414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.263414 (E_RNA)
where:
Base-Base interactions energy: -791.448
where: short stacking energy: -365.435
Base-Backbone interact. energy: 0.906
local terms energy: -413.721366
where:
bonds (distance) C4'-P energy: -79.547
bonds (distance) P-C4' energy: -76.635
flat angles C4'-P-C4' energy: -86.617
flat angles P-C4'-P energy: -57.582
tors. eta vs tors. theta energy: -113.340
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: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1095.652821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.652821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.652821 (E_RNA)
where:
Base-Base interactions energy: -731.082
where: short stacking energy: -311.901
Base-Backbone interact. energy: -2.117
local terms energy: -362.453563
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -79.596
flat angles C4'-P-C4' energy: -87.208
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -89.316
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: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -955.352173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.352173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.352173 (E_RNA)
where:
Base-Base interactions energy: -623.035
where: short stacking energy: -275.961
Base-Backbone interact. energy: -0.585
local terms energy: -331.733091
where:
bonds (distance) C4'-P energy: -66.723
bonds (distance) P-C4' energy: -66.393
flat angles C4'-P-C4' energy: -83.927
flat angles P-C4'-P energy: -51.532
tors. eta vs tors. theta energy: -63.158
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: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1016.630977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.630977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.630977 (E_RNA)
where:
Base-Base interactions energy: -660.566
where: short stacking energy: -290.435
Base-Backbone interact. energy: 2.657
local terms energy: -358.721135
where:
bonds (distance) C4'-P energy: -73.295
bonds (distance) P-C4' energy: -89.306
flat angles C4'-P-C4' energy: -70.622
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -75.131
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: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -842.883274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.883274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.883274 (E_RNA)
where:
Base-Base interactions energy: -524.310
where: short stacking energy: -249.638
Base-Backbone interact. energy: -0.764
local terms energy: -317.808397
where:
bonds (distance) C4'-P energy: -61.362
bonds (distance) P-C4' energy: -64.582
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -56.309
tors. eta vs tors. theta energy: -71.698
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: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -723.141789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.141789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.141789 (E_RNA)
where:
Base-Base interactions energy: -432.696
where: short stacking energy: -184.232
Base-Backbone interact. energy: -1.534
local terms energy: -288.911512
where:
bonds (distance) C4'-P energy: -74.586
bonds (distance) P-C4' energy: -74.260
flat angles C4'-P-C4' energy: -62.242
flat angles P-C4'-P energy: -45.779
tors. eta vs tors. theta energy: -32.045
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: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -477.000800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.000800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.000800 (E_RNA)
where:
Base-Base interactions energy: -229.905
where: short stacking energy: -125.283
Base-Backbone interact. energy: -1.761
local terms energy: -245.334623
where:
bonds (distance) C4'-P energy: -68.022
bonds (distance) P-C4' energy: -67.336
flat angles C4'-P-C4' energy: -64.091
flat angles P-C4'-P energy: -47.487
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: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -400.106647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.106647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.106647 (E_RNA)
where:
Base-Base interactions energy: -163.887
where: short stacking energy: -121.580
Base-Backbone interact. energy: -0.317
local terms energy: -235.902041
where:
bonds (distance) C4'-P energy: -62.284
bonds (distance) P-C4' energy: -64.182
flat angles C4'-P-C4' energy: -57.823
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -14.728
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: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -311.591229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.591229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.591229 (E_RNA)
where:
Base-Base interactions energy: -119.509
where: short stacking energy: -105.139
Base-Backbone interact. energy: 3.294
local terms energy: -195.376037
where:
bonds (distance) C4'-P energy: -60.623
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: 1.026
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: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1268.832098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.832098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.832098 (E_RNA)
where:
Base-Base interactions energy: -846.660
where: short stacking energy: -355.856
Base-Backbone interact. energy: -1.837
local terms energy: -420.334274
where:
bonds (distance) C4'-P energy: -75.818
bonds (distance) P-C4' energy: -73.682
flat angles C4'-P-C4' energy: -94.957
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -110.484
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: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1207.686544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.686544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.686544 (E_RNA)
where:
Base-Base interactions energy: -786.868
where: short stacking energy: -323.917
Base-Backbone interact. energy: -1.140
local terms energy: -419.678564
where:
bonds (distance) C4'-P energy: -86.129
bonds (distance) P-C4' energy: -83.947
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -59.252
tors. eta vs tors. theta energy: -97.603
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: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1104.548979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.548979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.548979 (E_RNA)
where:
Base-Base interactions energy: -725.790
where: short stacking energy: -323.751
Base-Backbone interact. energy: -0.792
local terms energy: -377.967363
where:
bonds (distance) C4'-P energy: -72.714
bonds (distance) P-C4' energy: -77.955
flat angles C4'-P-C4' energy: -84.523
flat angles P-C4'-P energy: -49.019
tors. eta vs tors. theta energy: -93.756
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: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -927.474974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.474974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.474974 (E_RNA)
where:
Base-Base interactions energy: -591.671
where: short stacking energy: -267.807
Base-Backbone interact. energy: -1.574
local terms energy: -334.229015
where:
bonds (distance) C4'-P energy: -68.117
bonds (distance) P-C4' energy: -79.612
flat angles C4'-P-C4' energy: -76.460
flat angles P-C4'-P energy: -51.015
tors. eta vs tors. theta energy: -59.025
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: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1013.346006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.346006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.346006 (E_RNA)
where:
Base-Base interactions energy: -678.886
where: short stacking energy: -305.250
Base-Backbone interact. energy: 0.182
local terms energy: -334.642202
where:
bonds (distance) C4'-P energy: -73.055
bonds (distance) P-C4' energy: -72.926
flat angles C4'-P-C4' energy: -78.915
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -76.118
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: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -851.472196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.472196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.472196 (E_RNA)
where:
Base-Base interactions energy: -535.183
where: short stacking energy: -263.913
Base-Backbone interact. energy: 4.289
local terms energy: -320.578388
where:
bonds (distance) C4'-P energy: -76.888
bonds (distance) P-C4' energy: -64.227
flat angles C4'-P-C4' energy: -65.687
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -71.286
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: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -722.374435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.374435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.374435 (E_RNA)
where:
Base-Base interactions energy: -446.526
where: short stacking energy: -195.474
Base-Backbone interact. energy: 0.148
local terms energy: -275.996336
where:
bonds (distance) C4'-P energy: -54.506
bonds (distance) P-C4' energy: -56.550
flat angles C4'-P-C4' energy: -75.005
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -42.463
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: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -498.977048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.977048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.977048 (E_RNA)
where:
Base-Base interactions energy: -261.835
where: short stacking energy: -124.766
Base-Backbone interact. energy: 0.669
local terms energy: -237.811821
where:
bonds (distance) C4'-P energy: -74.031
bonds (distance) P-C4' energy: -68.539
flat angles C4'-P-C4' energy: -53.125
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -9.593
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -342.866387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.866387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.866387 (E_RNA)
where:
Base-Base interactions energy: -101.529
where: short stacking energy: -91.883
Base-Backbone interact. energy: 0.630
local terms energy: -241.966660
where:
bonds (distance) C4'-P energy: -83.832
bonds (distance) P-C4' energy: -80.134
flat angles C4'-P-C4' energy: -66.122
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -1.961
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: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -319.659933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.659933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.659933 (E_RNA)
where:
Base-Base interactions energy: -106.070
where: short stacking energy: -85.725
Base-Backbone interact. energy: 0.116
local terms energy: -213.706024
where:
bonds (distance) C4'-P energy: -61.883
bonds (distance) P-C4' energy: -81.440
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -33.325
tors. eta vs tors. theta energy: 18.189
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: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1282.334707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.334707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.334707 (E_RNA)
where:
Base-Base interactions energy: -849.146
where: short stacking energy: -369.877
Base-Backbone interact. energy: -2.025
local terms energy: -431.163945
where:
bonds (distance) C4'-P energy: -90.420
bonds (distance) P-C4' energy: -86.985
flat angles C4'-P-C4' energy: -93.454
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -107.968
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: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1239.986883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.986883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.986883 (E_RNA)
where:
Base-Base interactions energy: -836.227
where: short stacking energy: -366.447
Base-Backbone interact. energy: 0.165
local terms energy: -403.924871
where:
bonds (distance) C4'-P energy: -70.864
bonds (distance) P-C4' energy: -77.637
flat angles C4'-P-C4' energy: -92.344
flat angles P-C4'-P energy: -57.800
tors. eta vs tors. theta energy: -105.281
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: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1123.325073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.325073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.325073 (E_RNA)
where:
Base-Base interactions energy: -726.949
where: short stacking energy: -320.266
Base-Backbone interact. energy: -2.831
local terms energy: -393.545342
where:
bonds (distance) C4'-P energy: -78.115
bonds (distance) P-C4' energy: -69.740
flat angles C4'-P-C4' energy: -86.575
flat angles P-C4'-P energy: -60.676
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: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1033.670551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.670551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.670551 (E_RNA)
where:
Base-Base interactions energy: -678.940
where: short stacking energy: -298.155
Base-Backbone interact. energy: -1.676
local terms energy: -353.054721
where:
bonds (distance) C4'-P energy: -61.676
bonds (distance) P-C4' energy: -76.837
flat angles C4'-P-C4' energy: -78.670
flat angles P-C4'-P energy: -56.190
tors. eta vs tors. theta energy: -79.682
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: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -914.051338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.051338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.051338 (E_RNA)
where:
Base-Base interactions energy: -580.004
where: short stacking energy: -271.669
Base-Backbone interact. energy: 0.523
local terms energy: -334.570368
where:
bonds (distance) C4'-P energy: -74.062
bonds (distance) P-C4' energy: -81.394
flat angles C4'-P-C4' energy: -75.259
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -65.324
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -828.207587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.207587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.207587 (E_RNA)
where:
Base-Base interactions energy: -496.610
where: short stacking energy: -253.988
Base-Backbone interact. energy: 0.035
local terms energy: -331.631968
where:
bonds (distance) C4'-P energy: -74.399
bonds (distance) P-C4' energy: -68.788
flat angles C4'-P-C4' energy: -78.232
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -64.041
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -731.152749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.152749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.152749 (E_RNA)
where:
Base-Base interactions energy: -438.373
where: short stacking energy: -216.838
Base-Backbone interact. energy: 1.138
local terms energy: -293.917658
where:
bonds (distance) C4'-P energy: -62.066
bonds (distance) P-C4' energy: -62.783
flat angles C4'-P-C4' energy: -82.729
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -39.442
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: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -568.032396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.032396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.032396 (E_RNA)
where:
Base-Base interactions energy: -330.834
where: short stacking energy: -174.964
Base-Backbone interact. energy: -4.042
local terms energy: -233.156440
where:
bonds (distance) C4'-P energy: -56.001
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -69.170
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -29.274
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -341.897574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.897574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.897574 (E_RNA)
where:
Base-Base interactions energy: -133.171
where: short stacking energy: -106.920
Base-Backbone interact. energy: 0.823
local terms energy: -209.549003
where:
bonds (distance) C4'-P energy: -65.405
bonds (distance) P-C4' energy: -72.954
flat angles C4'-P-C4' energy: -45.278
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: 22.183
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: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -315.517977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.517977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.517977 (E_RNA)
where:
Base-Base interactions energy: -92.303
where: short stacking energy: -68.222
Base-Backbone interact. energy: -2.148
local terms energy: -221.067419
where:
bonds (distance) C4'-P energy: -76.590
bonds (distance) P-C4' energy: -80.379
flat angles C4'-P-C4' energy: -46.430
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: 9.561
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: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1279.881614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.881614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.881614 (E_RNA)
where:
Base-Base interactions energy: -851.666
where: short stacking energy: -359.931
Base-Backbone interact. energy: -0.929
local terms energy: -427.287370
where:
bonds (distance) C4'-P energy: -85.200
bonds (distance) P-C4' energy: -80.583
flat angles C4'-P-C4' energy: -94.073
flat angles P-C4'-P energy: -61.206
tors. eta vs tors. theta energy: -106.225
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: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1213.970150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.970150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.970150 (E_RNA)
where:
Base-Base interactions energy: -801.693
where: short stacking energy: -342.244
Base-Backbone interact. energy: -1.230
local terms energy: -411.047069
where:
bonds (distance) C4'-P energy: -80.165
bonds (distance) P-C4' energy: -77.011
flat angles C4'-P-C4' energy: -91.762
flat angles P-C4'-P energy: -61.173
tors. eta vs tors. theta energy: -100.937
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1089.202092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.202092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.202092 (E_RNA)
where:
Base-Base interactions energy: -728.504
where: short stacking energy: -308.599
Base-Backbone interact. energy: -1.678
local terms energy: -359.020378
where:
bonds (distance) C4'-P energy: -72.660
bonds (distance) P-C4' energy: -70.606
flat angles C4'-P-C4' energy: -83.226
flat angles P-C4'-P energy: -49.154
tors. eta vs tors. theta energy: -83.374
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: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1068.893984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.893984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.893984 (E_RNA)
where:
Base-Base interactions energy: -696.338
where: short stacking energy: -301.438
Base-Backbone interact. energy: 1.231
local terms energy: -373.786678
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -83.345
flat angles C4'-P-C4' energy: -78.376
flat angles P-C4'-P energy: -62.311
tors. eta vs tors. theta energy: -79.717
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: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -936.484769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.484769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.484769 (E_RNA)
where:
Base-Base interactions energy: -597.530
where: short stacking energy: -266.495
Base-Backbone interact. energy: -2.770
local terms energy: -336.185455
where:
bonds (distance) C4'-P energy: -66.232
bonds (distance) P-C4' energy: -83.311
flat angles C4'-P-C4' energy: -77.441
flat angles P-C4'-P energy: -50.515
tors. eta vs tors. theta energy: -58.687
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: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -823.862059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.862059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.862059 (E_RNA)
where:
Base-Base interactions energy: -495.730
where: short stacking energy: -236.323
Base-Backbone interact. energy: 0.779
local terms energy: -328.911745
where:
bonds (distance) C4'-P energy: -77.153
bonds (distance) P-C4' energy: -67.785
flat angles C4'-P-C4' energy: -72.700
flat angles P-C4'-P energy: -51.200
tors. eta vs tors. theta energy: -60.074
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: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -683.104237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.104237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.104237 (E_RNA)
where:
Base-Base interactions energy: -405.692
where: short stacking energy: -190.880
Base-Backbone interact. energy: -1.556
local terms energy: -275.856390
where:
bonds (distance) C4'-P energy: -67.219
bonds (distance) P-C4' energy: -66.107
flat angles C4'-P-C4' energy: -64.660
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -36.266
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -582.660686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.660686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.660686 (E_RNA)
where:
Base-Base interactions energy: -312.463
where: short stacking energy: -162.732
Base-Backbone interact. energy: 0.726
local terms energy: -270.923382
where:
bonds (distance) C4'-P energy: -70.092
bonds (distance) P-C4' energy: -72.516
flat angles C4'-P-C4' energy: -72.604
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -16.158
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: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -359.824358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.824358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.824358 (E_RNA)
where:
Base-Base interactions energy: -134.169
where: short stacking energy: -97.982
Base-Backbone interact. energy: 2.501
local terms energy: -228.156920
where:
bonds (distance) C4'-P energy: -67.985
bonds (distance) P-C4' energy: -71.715
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: -2.571
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: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -301.112807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.112807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.112807 (E_RNA)
where:
Base-Base interactions energy: -113.612
where: short stacking energy: -100.406
Base-Backbone interact. energy: 1.808
local terms energy: -189.309595
where:
bonds (distance) C4'-P energy: -64.992
bonds (distance) P-C4' energy: -52.519
flat angles C4'-P-C4' energy: -58.417
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: 3.614
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: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1294.249714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.249714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.249714 (E_RNA)
where:
Base-Base interactions energy: -871.802
where: short stacking energy: -372.534
Base-Backbone interact. energy: -0.850
local terms energy: -421.598122
where:
bonds (distance) C4'-P energy: -82.664
bonds (distance) P-C4' energy: -78.670
flat angles C4'-P-C4' energy: -92.584
flat angles P-C4'-P energy: -50.264
tors. eta vs tors. theta energy: -117.416
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: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1217.193356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.193356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.193356 (E_RNA)
where:
Base-Base interactions energy: -818.161
where: short stacking energy: -367.553
Base-Backbone interact. energy: -1.311
local terms energy: -397.721445
where:
bonds (distance) C4'-P energy: -75.690
bonds (distance) P-C4' energy: -80.440
flat angles C4'-P-C4' energy: -87.097
flat angles P-C4'-P energy: -54.508
tors. eta vs tors. theta energy: -99.986
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: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1130.231356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.231356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.231356 (E_RNA)
where:
Base-Base interactions energy: -749.185
where: short stacking energy: -320.379
Base-Backbone interact. energy: -0.917
local terms energy: -380.129408
where:
bonds (distance) C4'-P energy: -72.795
bonds (distance) P-C4' energy: -82.013
flat angles C4'-P-C4' energy: -83.012
flat angles P-C4'-P energy: -44.745
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: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1123.299506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.299506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.299506 (E_RNA)
where:
Base-Base interactions energy: -761.713
where: short stacking energy: -313.950
Base-Backbone interact. energy: 5.221
local terms energy: -366.807880
where:
bonds (distance) C4'-P energy: -70.746
bonds (distance) P-C4' energy: -74.326
flat angles C4'-P-C4' energy: -84.320
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -83.772
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: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -918.097718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.097718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.097718 (E_RNA)
where:
Base-Base interactions energy: -587.571
where: short stacking energy: -257.057
Base-Backbone interact. energy: 0.156
local terms energy: -330.683089
where:
bonds (distance) C4'-P energy: -68.915
bonds (distance) P-C4' energy: -77.102
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -56.162
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: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -785.298122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.298122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.298122 (E_RNA)
where:
Base-Base interactions energy: -474.975
where: short stacking energy: -233.009
Base-Backbone interact. energy: -0.942
local terms energy: -309.381584
where:
bonds (distance) C4'-P energy: -63.724
bonds (distance) P-C4' energy: -74.271
flat angles C4'-P-C4' energy: -80.425
flat angles P-C4'-P energy: -38.235
tors. eta vs tors. theta energy: -52.727
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: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -697.256299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.256299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.256299 (E_RNA)
where:
Base-Base interactions energy: -425.757
where: short stacking energy: -187.509
Base-Backbone interact. energy: -1.039
local terms energy: -270.459629
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -58.284
flat angles C4'-P-C4' energy: -74.237
flat angles P-C4'-P energy: -47.362
tors. eta vs tors. theta energy: -32.413
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: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -607.886958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.886958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.886958 (E_RNA)
where:
Base-Base interactions energy: -340.710
where: short stacking energy: -169.849
Base-Backbone interact. energy: 0.062
local terms energy: -267.238963
where:
bonds (distance) C4'-P energy: -70.016
bonds (distance) P-C4' energy: -73.730
flat angles C4'-P-C4' energy: -65.486
flat angles P-C4'-P energy: -39.885
tors. eta vs tors. theta energy: -18.121
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: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -357.978577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.978577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.978577 (E_RNA)
where:
Base-Base interactions energy: -113.272
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.624
local terms energy: -244.082839
where:
bonds (distance) C4'-P energy: -68.308
bonds (distance) P-C4' energy: -75.341
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -6.026
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: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -314.454671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.454671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.454671 (E_RNA)
where:
Base-Base interactions energy: -98.634
where: short stacking energy: -92.467
Base-Backbone interact. energy: 2.924
local terms energy: -218.745375
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -75.918
flat angles C4'-P-C4' energy: -51.431
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: 13.953
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: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1317.283815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.283815 (E_RNA)
where:
Base-Base interactions energy: -903.128
where: short stacking energy: -375.356
Base-Backbone interact. energy: -1.282
local terms energy: -412.874169
where:
bonds (distance) C4'-P energy: -72.371
bonds (distance) P-C4' energy: -82.928
flat angles C4'-P-C4' energy: -90.281
flat angles P-C4'-P energy: -56.127
tors. eta vs tors. theta energy: -111.167
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: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1193.711351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.711351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.711351 (E_RNA)
where:
Base-Base interactions energy: -784.316
where: short stacking energy: -328.241
Base-Backbone interact. energy: -1.743
local terms energy: -407.651619
where:
bonds (distance) C4'-P energy: -79.728
bonds (distance) P-C4' energy: -78.315
flat angles C4'-P-C4' energy: -91.085
flat angles P-C4'-P energy: -62.659
tors. eta vs tors. theta energy: -95.864
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: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1192.142905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.142905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.142905 (E_RNA)
where:
Base-Base interactions energy: -829.553
where: short stacking energy: -349.053
Base-Backbone interact. energy: -2.043
local terms energy: -360.546240
where:
bonds (distance) C4'-P energy: -75.430
bonds (distance) P-C4' energy: -75.789
flat angles C4'-P-C4' energy: -77.784
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -88.698
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1068.121535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.121535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.121535 (E_RNA)
where:
Base-Base interactions energy: -725.910
where: short stacking energy: -285.661
Base-Backbone interact. energy: 2.954
local terms energy: -345.165207
where:
bonds (distance) C4'-P energy: -71.751
bonds (distance) P-C4' energy: -63.814
flat angles C4'-P-C4' energy: -80.818
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -81.697
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: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -959.077908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.077908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.077908 (E_RNA)
where:
Base-Base interactions energy: -623.155
where: short stacking energy: -266.602
Base-Backbone interact. energy: -1.030
local terms energy: -334.892828
where:
bonds (distance) C4'-P energy: -60.481
bonds (distance) P-C4' energy: -80.455
flat angles C4'-P-C4' energy: -72.641
flat angles P-C4'-P energy: -50.326
tors. eta vs tors. theta energy: -70.990
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: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -794.186193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.186193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.186193 (E_RNA)
where:
Base-Base interactions energy: -478.496
where: short stacking energy: -249.733
Base-Backbone interact. energy: -1.615
local terms energy: -314.075176
where:
bonds (distance) C4'-P energy: -70.334
bonds (distance) P-C4' energy: -64.123
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -68.545
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: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -681.716149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.716149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.716149 (E_RNA)
where:
Base-Base interactions energy: -412.715
where: short stacking energy: -209.524
Base-Backbone interact. energy: 1.081
local terms energy: -270.082717
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -59.669
flat angles C4'-P-C4' energy: -62.398
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: -37.004
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: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -602.983213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.983213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.983213 (E_RNA)
where:
Base-Base interactions energy: -329.332
where: short stacking energy: -168.182
Base-Backbone interact. energy: -1.252
local terms energy: -272.400043
where:
bonds (distance) C4'-P energy: -71.208
bonds (distance) P-C4' energy: -54.648
flat angles C4'-P-C4' energy: -75.262
flat angles P-C4'-P energy: -28.211
tors. eta vs tors. theta energy: -43.071
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: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -320.257121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.257121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.257121 (E_RNA)
where:
Base-Base interactions energy: -115.068
where: short stacking energy: -99.407
Base-Backbone interact. energy: 4.741
local terms energy: -209.930157
where:
bonds (distance) C4'-P energy: -64.057
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -30.857
tors. eta vs tors. theta energy: 3.838
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: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -310.222710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.222710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.222710 (E_RNA)
where:
Base-Base interactions energy: -109.039
where: short stacking energy: -86.794
Base-Backbone interact. energy: -0.168
local terms energy: -201.014939
where:
bonds (distance) C4'-P energy: -69.176
bonds (distance) P-C4' energy: -65.154
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: 14.688
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: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1307.450064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.450064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.450064 (E_RNA)
where:
Base-Base interactions energy: -887.518
where: short stacking energy: -373.485
Base-Backbone interact. energy: -2.464
local terms energy: -417.467597
where:
bonds (distance) C4'-P energy: -78.253
bonds (distance) P-C4' energy: -86.405
flat angles C4'-P-C4' energy: -82.952
flat angles P-C4'-P energy: -59.662
tors. eta vs tors. theta energy: -110.196
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: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1191.589067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.589067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.589067 (E_RNA)
where:
Base-Base interactions energy: -782.255
where: short stacking energy: -341.524
Base-Backbone interact. energy: -2.753
local terms energy: -406.580221
where:
bonds (distance) C4'-P energy: -85.354
bonds (distance) P-C4' energy: -75.897
flat angles C4'-P-C4' energy: -93.291
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -104.806
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: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1163.173545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.173545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.173545 (E_RNA)
where:
Base-Base interactions energy: -771.713
where: short stacking energy: -357.524
Base-Backbone interact. energy: -1.110
local terms energy: -390.351147
where:
bonds (distance) C4'-P energy: -77.470
bonds (distance) P-C4' energy: -75.683
flat angles C4'-P-C4' energy: -81.568
flat angles P-C4'-P energy: -53.439
tors. eta vs tors. theta energy: -102.191
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1113.782890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.782890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.782890 (E_RNA)
where:
Base-Base interactions energy: -742.577
where: short stacking energy: -313.937
Base-Backbone interact. energy: -2.411
local terms energy: -368.795311
where:
bonds (distance) C4'-P energy: -82.965
bonds (distance) P-C4' energy: -64.370
flat angles C4'-P-C4' energy: -79.005
flat angles P-C4'-P energy: -60.642
tors. eta vs tors. theta energy: -81.813
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: 61
Temperature: 1.100000
Total energy: -1008.256150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.256150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.256150 (E_RNA)
where:
Base-Base interactions energy: -650.287
where: short stacking energy: -296.108
Base-Backbone interact. energy: -0.067
local terms energy: -357.902225
where:
bonds (distance) C4'-P energy: -71.355
bonds (distance) P-C4' energy: -75.681
flat angles C4'-P-C4' energy: -70.616
flat angles P-C4'-P energy: -51.593
tors. eta vs tors. theta energy: -88.656
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: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -767.231460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.231460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.231460 (E_RNA)
where:
Base-Base interactions energy: -481.653
where: short stacking energy: -234.428
Base-Backbone interact. energy: -0.056
local terms energy: -285.522905
where:
bonds (distance) C4'-P energy: -70.315
bonds (distance) P-C4' energy: -56.258
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -51.812
tors. eta vs tors. theta energy: -42.479
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: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -789.704848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.704848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.704848 (E_RNA)
where:
Base-Base interactions energy: -459.816
where: short stacking energy: -235.069
Base-Backbone interact. energy: -1.096
local terms energy: -328.792830
where:
bonds (distance) C4'-P energy: -70.685
bonds (distance) P-C4' energy: -73.183
flat angles C4'-P-C4' energy: -71.174
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -66.417
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: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -584.337869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.337869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.337869 (E_RNA)
where:
Base-Base interactions energy: -329.065
where: short stacking energy: -148.239
Base-Backbone interact. energy: -0.778
local terms energy: -254.495121
where:
bonds (distance) C4'-P energy: -74.898
bonds (distance) P-C4' energy: -71.550
flat angles C4'-P-C4' energy: -64.120
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: -17.410
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: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -350.195832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.195832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.195832 (E_RNA)
where:
Base-Base interactions energy: -115.075
where: short stacking energy: -106.270
Base-Backbone interact. energy: 1.034
local terms energy: -236.154646
where:
bonds (distance) C4'-P energy: -51.606
bonds (distance) P-C4' energy: -83.428
flat angles C4'-P-C4' energy: -65.215
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: 4.997
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: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -314.653468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.653468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.653468 (E_RNA)
where:
Base-Base interactions energy: -119.133
where: short stacking energy: -78.615
Base-Backbone interact. energy: -1.749
local terms energy: -193.771760
where:
bonds (distance) C4'-P energy: -60.578
bonds (distance) P-C4' energy: -63.785
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -34.556
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: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1314.827849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.827849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.827849 (E_RNA)
where:
Base-Base interactions energy: -887.981
where: short stacking energy: -370.671
Base-Backbone interact. energy: -0.251
local terms energy: -426.595909
where:
bonds (distance) C4'-P energy: -84.461
bonds (distance) P-C4' energy: -76.736
flat angles C4'-P-C4' energy: -88.220
flat angles P-C4'-P energy: -58.826
tors. eta vs tors. theta energy: -118.353
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: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1208.284154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.284154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.284154 (E_RNA)
where:
Base-Base interactions energy: -808.142
where: short stacking energy: -371.592
Base-Backbone interact. energy: -0.733
local terms energy: -399.409308
where:
bonds (distance) C4'-P energy: -71.857
bonds (distance) P-C4' energy: -74.282
flat angles C4'-P-C4' energy: -93.370
flat angles P-C4'-P energy: -63.686
tors. eta vs tors. theta energy: -96.214
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: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1185.248487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.248487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.248487 (E_RNA)
where:
Base-Base interactions energy: -793.827
where: short stacking energy: -347.866
Base-Backbone interact. energy: -2.193
local terms energy: -389.229201
where:
bonds (distance) C4'-P energy: -65.178
bonds (distance) P-C4' energy: -85.347
flat angles C4'-P-C4' energy: -81.356
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -98.622
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1113.809667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.809667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.809667 (E_RNA)
where:
Base-Base interactions energy: -743.619
where: short stacking energy: -308.460
Base-Backbone interact. energy: -0.418
local terms energy: -369.773484
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -85.413
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -48.877
tors. eta vs tors. theta energy: -85.855
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: 62
Temperature: 1.100000
Total energy: -1018.039522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.039522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.039522 (E_RNA)
where:
Base-Base interactions energy: -688.582
where: short stacking energy: -298.761
Base-Backbone interact. energy: -4.201
local terms energy: -325.256628
where:
bonds (distance) C4'-P energy: -72.841
bonds (distance) P-C4' energy: -63.812
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -70.842
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: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -767.091693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.091693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.091693 (E_RNA)
where:
Base-Base interactions energy: -462.010
where: short stacking energy: -220.214
Base-Backbone interact. energy: -1.081
local terms energy: -304.000877
where:
bonds (distance) C4'-P energy: -65.554
bonds (distance) P-C4' energy: -85.694
flat angles C4'-P-C4' energy: -60.642
flat angles P-C4'-P energy: -40.728
tors. eta vs tors. theta energy: -51.382
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: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -720.067036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.067036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.067036 (E_RNA)
where:
Base-Base interactions energy: -452.148
where: short stacking energy: -205.937
Base-Backbone interact. energy: -1.275
local terms energy: -266.643509
where:
bonds (distance) C4'-P energy: -50.176
bonds (distance) P-C4' energy: -64.002
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -41.820
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: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -597.161193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.161193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.161193 (E_RNA)
where:
Base-Base interactions energy: -336.689
where: short stacking energy: -196.795
Base-Backbone interact. energy: 2.264
local terms energy: -262.736158
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -65.010
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -44.093
tors. eta vs tors. theta energy: -35.105
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: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -354.992977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.992977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.992977 (E_RNA)
where:
Base-Base interactions energy: -138.743
where: short stacking energy: -114.694
Base-Backbone interact. energy: -0.880
local terms energy: -215.370148
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -77.482
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: 8.911
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: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -333.105177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.105177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.105177 (E_RNA)
where:
Base-Base interactions energy: -132.646
where: short stacking energy: -98.027
Base-Backbone interact. energy: 1.151
local terms energy: -201.609870
where:
bonds (distance) C4'-P energy: -64.910
bonds (distance) P-C4' energy: -67.962
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: 18.032
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: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1326.617347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.617347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.617347 (E_RNA)
where:
Base-Base interactions energy: -905.283
where: short stacking energy: -381.465
Base-Backbone interact. energy: -2.336
local terms energy: -418.997932
where:
bonds (distance) C4'-P energy: -70.790
bonds (distance) P-C4' energy: -85.488
flat angles C4'-P-C4' energy: -94.500
flat angles P-C4'-P energy: -53.910
tors. eta vs tors. theta energy: -114.310
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: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1225.035955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.035955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.035955 (E_RNA)
where:
Base-Base interactions energy: -816.529
where: short stacking energy: -367.511
Base-Backbone interact. energy: -1.246
local terms energy: -407.260491
where:
bonds (distance) C4'-P energy: -78.652
bonds (distance) P-C4' energy: -82.621
flat angles C4'-P-C4' energy: -88.165
flat angles P-C4'-P energy: -56.914
tors. eta vs tors. theta energy: -100.909
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: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1163.045708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.045708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.045708 (E_RNA)
where:
Base-Base interactions energy: -799.484
where: short stacking energy: -354.002
Base-Backbone interact. energy: -1.212
local terms energy: -362.349707
where:
bonds (distance) C4'-P energy: -72.116
bonds (distance) P-C4' energy: -70.013
flat angles C4'-P-C4' energy: -77.009
flat angles P-C4'-P energy: -50.558
tors. eta vs tors. theta energy: -92.654
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: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1079.427746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.427746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.427746 (E_RNA)
where:
Base-Base interactions energy: -720.507
where: short stacking energy: -317.516
Base-Backbone interact. energy: -0.947
local terms energy: -357.974078
where:
bonds (distance) C4'-P energy: -65.863
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -89.315
flat angles P-C4'-P energy: -56.088
tors. eta vs tors. theta energy: -79.984
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -994.387262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.387262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.387262 (E_RNA)
where:
Base-Base interactions energy: -632.849
where: short stacking energy: -296.422
Base-Backbone interact. energy: -2.368
local terms energy: -359.170775
where:
bonds (distance) C4'-P energy: -70.105
bonds (distance) P-C4' energy: -82.909
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -47.261
tors. eta vs tors. theta energy: -86.647
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: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -809.942372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.942372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.942372 (E_RNA)
where:
Base-Base interactions energy: -505.252
where: short stacking energy: -233.989
Base-Backbone interact. energy: -0.765
local terms energy: -303.925506
where:
bonds (distance) C4'-P energy: -67.669
bonds (distance) P-C4' energy: -62.046
flat angles C4'-P-C4' energy: -77.390
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -48.899
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: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -703.501379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.501379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.501379 (E_RNA)
where:
Base-Base interactions energy: -433.215
where: short stacking energy: -196.957
Base-Backbone interact. energy: -1.366
local terms energy: -268.919891
where:
bonds (distance) C4'-P energy: -71.171
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -43.330
tors. eta vs tors. theta energy: -45.269
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: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -575.797239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.797239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.797239 (E_RNA)
where:
Base-Base interactions energy: -317.688
where: short stacking energy: -169.768
Base-Backbone interact. energy: 0.720
local terms energy: -258.829953
where:
bonds (distance) C4'-P energy: -61.295
bonds (distance) P-C4' energy: -77.881
flat angles C4'-P-C4' energy: -64.190
flat angles P-C4'-P energy: -27.111
tors. eta vs tors. theta energy: -28.353
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: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -354.609183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.609183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.609183 (E_RNA)
where:
Base-Base interactions energy: -127.721
where: short stacking energy: -93.849
Base-Backbone interact. energy: -0.479
local terms energy: -226.409089
where:
bonds (distance) C4'-P energy: -64.436
bonds (distance) P-C4' energy: -72.983
flat angles C4'-P-C4' energy: -62.996
flat angles P-C4'-P energy: -31.964
tors. eta vs tors. theta energy: 5.969
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -325.238506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.238506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.238506 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -87.259
Base-Backbone interact. energy: 1.021
local terms energy: -218.897852
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -78.053
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -45.040
tors. eta vs tors. theta energy: 11.991
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: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1331.500997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.500997 (E_RNA)
where:
Base-Base interactions energy: -917.223
where: short stacking energy: -381.095
Base-Backbone interact. energy: -1.822
local terms energy: -412.455662
where:
bonds (distance) C4'-P energy: -87.031
bonds (distance) P-C4' energy: -76.794
flat angles C4'-P-C4' energy: -86.258
flat angles P-C4'-P energy: -53.362
tors. eta vs tors. theta energy: -109.010
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: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1265.730472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.730472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.730472 (E_RNA)
where:
Base-Base interactions energy: -834.685
where: short stacking energy: -383.619
Base-Backbone interact. energy: -0.568
local terms energy: -430.477642
where:
bonds (distance) C4'-P energy: -86.211
bonds (distance) P-C4' energy: -74.999
flat angles C4'-P-C4' energy: -90.024
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: -118.908
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: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1128.310579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.310579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.310579 (E_RNA)
where:
Base-Base interactions energy: -731.987
where: short stacking energy: -297.950
Base-Backbone interact. energy: -4.428
local terms energy: -391.895344
where:
bonds (distance) C4'-P energy: -82.200
bonds (distance) P-C4' energy: -74.780
flat angles C4'-P-C4' energy: -88.636
flat angles P-C4'-P energy: -58.830
tors. eta vs tors. theta energy: -87.450
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: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1123.501999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.501999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.501999 (E_RNA)
where:
Base-Base interactions energy: -751.900
where: short stacking energy: -331.777
Base-Backbone interact. energy: -2.104
local terms energy: -369.497904
where:
bonds (distance) C4'-P energy: -80.929
bonds (distance) P-C4' energy: -81.358
flat angles C4'-P-C4' energy: -66.998
flat angles P-C4'-P energy: -61.732
tors. eta vs tors. theta energy: -78.480
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: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -965.678250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.678250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.678250 (E_RNA)
where:
Base-Base interactions energy: -633.628
where: short stacking energy: -273.334
Base-Backbone interact. energy: 0.454
local terms energy: -332.504140
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -73.287
flat angles C4'-P-C4' energy: -73.161
flat angles P-C4'-P energy: -57.262
tors. eta vs tors. theta energy: -71.048
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -761.281936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.281936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.281936 (E_RNA)
where:
Base-Base interactions energy: -452.011
where: short stacking energy: -233.251
Base-Backbone interact. energy: -2.473
local terms energy: -306.797658
where:
bonds (distance) C4'-P energy: -61.954
bonds (distance) P-C4' energy: -83.210
flat angles C4'-P-C4' energy: -69.646
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -50.712
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: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -712.921907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.921907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.921907 (E_RNA)
where:
Base-Base interactions energy: -421.631
where: short stacking energy: -199.054
Base-Backbone interact. energy: -1.210
local terms energy: -290.081167
where:
bonds (distance) C4'-P energy: -77.385
bonds (distance) P-C4' energy: -52.870
flat angles C4'-P-C4' energy: -72.689
flat angles P-C4'-P energy: -41.142
tors. eta vs tors. theta energy: -45.994
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: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -560.124021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.124021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.124021 (E_RNA)
where:
Base-Base interactions energy: -320.016
where: short stacking energy: -157.777
Base-Backbone interact. energy: 1.465
local terms energy: -241.572770
where:
bonds (distance) C4'-P energy: -73.455
bonds (distance) P-C4' energy: -54.212
flat angles C4'-P-C4' energy: -59.250
flat angles P-C4'-P energy: -45.249
tors. eta vs tors. theta energy: -9.405
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: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -335.779563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.779563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.779563 (E_RNA)
where:
Base-Base interactions energy: -106.828
where: short stacking energy: -95.032
Base-Backbone interact. energy: -0.106
local terms energy: -228.845068
where:
bonds (distance) C4'-P energy: -66.346
bonds (distance) P-C4' energy: -71.410
flat angles C4'-P-C4' energy: -55.890
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: 8.849
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: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -331.841705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.841705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.841705 (E_RNA)
where:
Base-Base interactions energy: -124.168
where: short stacking energy: -95.848
Base-Backbone interact. energy: -1.152
local terms energy: -206.521566
where:
bonds (distance) C4'-P energy: -63.182
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -64.354
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: 19.560
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: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1311.225334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.225334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.225334 (E_RNA)
where:
Base-Base interactions energy: -899.657
where: short stacking energy: -370.838
Base-Backbone interact. energy: -2.510
local terms energy: -409.058195
where:
bonds (distance) C4'-P energy: -75.983
bonds (distance) P-C4' energy: -84.590
flat angles C4'-P-C4' energy: -78.949
flat angles P-C4'-P energy: -60.023
tors. eta vs tors. theta energy: -109.513
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: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1231.249574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.249574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.249574 (E_RNA)
where:
Base-Base interactions energy: -826.783
where: short stacking energy: -361.011
Base-Backbone interact. energy: -2.571
local terms energy: -401.895387
where:
bonds (distance) C4'-P energy: -75.964
bonds (distance) P-C4' energy: -73.503
flat angles C4'-P-C4' energy: -86.935
flat angles P-C4'-P energy: -56.588
tors. eta vs tors. theta energy: -108.905
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: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1136.636076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.636076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.636076 (E_RNA)
where:
Base-Base interactions energy: -757.743
where: short stacking energy: -314.148
Base-Backbone interact. energy: -0.780
local terms energy: -378.112935
where:
bonds (distance) C4'-P energy: -75.851
bonds (distance) P-C4' energy: -70.888
flat angles C4'-P-C4' energy: -75.939
flat angles P-C4'-P energy: -62.736
tors. eta vs tors. theta energy: -92.699
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: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1111.908509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.908509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.908509 (E_RNA)
where:
Base-Base interactions energy: -738.613
where: short stacking energy: -319.280
Base-Backbone interact. energy: -1.921
local terms energy: -371.374441
where:
bonds (distance) C4'-P energy: -62.573
bonds (distance) P-C4' energy: -77.283
flat angles C4'-P-C4' energy: -84.124
flat angles P-C4'-P energy: -54.449
tors. eta vs tors. theta energy: -92.946
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: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -977.557924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.557924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.557924 (E_RNA)
where:
Base-Base interactions energy: -641.262
where: short stacking energy: -296.740
Base-Backbone interact. energy: -3.508
local terms energy: -332.788022
where:
bonds (distance) C4'-P energy: -66.833
bonds (distance) P-C4' energy: -65.340
flat angles C4'-P-C4' energy: -79.080
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -75.147
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: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -769.435876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.435876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.435876 (E_RNA)
where:
Base-Base interactions energy: -461.271
where: short stacking energy: -211.578
Base-Backbone interact. energy: -0.945
local terms energy: -307.220412
where:
bonds (distance) C4'-P energy: -82.433
bonds (distance) P-C4' energy: -63.638
flat angles C4'-P-C4' energy: -72.055
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -42.118
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: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -745.495271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.495271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.495271 (E_RNA)
where:
Base-Base interactions energy: -457.629
where: short stacking energy: -204.164
Base-Backbone interact. energy: -0.673
local terms energy: -287.193286
where:
bonds (distance) C4'-P energy: -61.215
bonds (distance) P-C4' energy: -76.877
flat angles C4'-P-C4' energy: -59.728
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: -39.912
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: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -598.413955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.413955 (E_RNA)
where:
Base-Base interactions energy: -327.785
where: short stacking energy: -152.280
Base-Backbone interact. energy: -1.282
local terms energy: -269.347109
where:
bonds (distance) C4'-P energy: -72.076
bonds (distance) P-C4' energy: -74.615
flat angles C4'-P-C4' energy: -61.255
flat angles P-C4'-P energy: -44.335
tors. eta vs tors. theta energy: -17.066
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -331.898055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.898055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.898055 (E_RNA)
where:
Base-Base interactions energy: -126.419
where: short stacking energy: -82.819
Base-Backbone interact. energy: -0.892
local terms energy: -204.587042
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -78.746
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: 17.845
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: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -333.781861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.781861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.781861 (E_RNA)
where:
Base-Base interactions energy: -135.306
where: short stacking energy: -104.595
Base-Backbone interact. energy: 0.069
local terms energy: -198.544706
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -68.033
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: 15.887
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: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1318.232557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.232557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.232557 (E_RNA)
where:
Base-Base interactions energy: -896.878
where: short stacking energy: -376.986
Base-Backbone interact. energy: 0.857
local terms energy: -422.210965
where:
bonds (distance) C4'-P energy: -76.530
bonds (distance) P-C4' energy: -83.505
flat angles C4'-P-C4' energy: -88.214
flat angles P-C4'-P energy: -62.881
tors. eta vs tors. theta energy: -111.081
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: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1240.395076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.395076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.395076 (E_RNA)
where:
Base-Base interactions energy: -819.164
where: short stacking energy: -380.662
Base-Backbone interact. energy: 3.733
local terms energy: -424.964331
where:
bonds (distance) C4'-P energy: -80.207
bonds (distance) P-C4' energy: -82.864
flat angles C4'-P-C4' energy: -84.540
flat angles P-C4'-P energy: -61.897
tors. eta vs tors. theta energy: -115.456
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1158.856067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.856067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.856067 (E_RNA)
where:
Base-Base interactions energy: -780.842
where: short stacking energy: -312.218
Base-Backbone interact. energy: -3.021
local terms energy: -374.992384
where:
bonds (distance) C4'-P energy: -74.171
bonds (distance) P-C4' energy: -85.893
flat angles C4'-P-C4' energy: -73.222
flat angles P-C4'-P energy: -53.754
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: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1148.458404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.458404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.458404 (E_RNA)
where:
Base-Base interactions energy: -761.969
where: short stacking energy: -355.067
Base-Backbone interact. energy: -0.804
local terms energy: -385.685832
where:
bonds (distance) C4'-P energy: -68.140
bonds (distance) P-C4' energy: -77.060
flat angles C4'-P-C4' energy: -78.645
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -105.119
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: 66
Temperature: 1.100000
Total energy: -985.670151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.670151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.670151 (E_RNA)
where:
Base-Base interactions energy: -632.997
where: short stacking energy: -280.958
Base-Backbone interact. energy: -1.140
local terms energy: -351.532484
where:
bonds (distance) C4'-P energy: -56.622
bonds (distance) P-C4' energy: -76.153
flat angles C4'-P-C4' energy: -82.319
flat angles P-C4'-P energy: -50.969
tors. eta vs tors. theta energy: -85.469
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: 6, replica: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -772.173505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.173505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.173505 (E_RNA)
where:
Base-Base interactions energy: -482.471
where: short stacking energy: -206.200
Base-Backbone interact. energy: -2.936
local terms energy: -286.767020
where:
bonds (distance) C4'-P energy: -67.533
bonds (distance) P-C4' energy: -50.986
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -48.004
tors. eta vs tors. theta energy: -44.734
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: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -602.541407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.541407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.541407 (E_RNA)
where:
Base-Base interactions energy: -315.414
where: short stacking energy: -179.901
Base-Backbone interact. energy: 0.205
local terms energy: -287.332415
where:
bonds (distance) C4'-P energy: -68.093
bonds (distance) P-C4' energy: -72.216
flat angles C4'-P-C4' energy: -73.760
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -28.949
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: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -621.796085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.796085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.796085 (E_RNA)
where:
Base-Base interactions energy: -361.107
where: short stacking energy: -173.276
Base-Backbone interact. energy: -2.458
local terms energy: -258.230959
where:
bonds (distance) C4'-P energy: -74.169
bonds (distance) P-C4' energy: -59.407
flat angles C4'-P-C4' energy: -72.630
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: -6.112
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -376.833947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.833947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.833947 (E_RNA)
where:
Base-Base interactions energy: -139.677
where: short stacking energy: -107.311
Base-Backbone interact. energy: 3.553
local terms energy: -240.709799
where:
bonds (distance) C4'-P energy: -63.756
bonds (distance) P-C4' energy: -80.861
flat angles C4'-P-C4' energy: -65.702
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: 1.389
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: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -333.139665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.139665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.139665 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -91.727
Base-Backbone interact. energy: 2.429
local terms energy: -215.521136
where:
bonds (distance) C4'-P energy: -60.429
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: 5.636
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: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1310.841474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.841474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.841474 (E_RNA)
where:
Base-Base interactions energy: -896.033
where: short stacking energy: -361.760
Base-Backbone interact. energy: -2.374
local terms energy: -412.434873
where:
bonds (distance) C4'-P energy: -78.874
bonds (distance) P-C4' energy: -89.709
flat angles C4'-P-C4' energy: -82.479
flat angles P-C4'-P energy: -55.119
tors. eta vs tors. theta energy: -106.254
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1214.762985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.762985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.762985 (E_RNA)
where:
Base-Base interactions energy: -788.788
where: short stacking energy: -361.990
Base-Backbone interact. energy: 3.439
local terms energy: -429.414614
where:
bonds (distance) C4'-P energy: -80.844
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -90.878
flat angles P-C4'-P energy: -57.262
tors. eta vs tors. theta energy: -108.257
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: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1131.119604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.119604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.119604 (E_RNA)
where:
Base-Base interactions energy: -759.581
where: short stacking energy: -325.012
Base-Backbone interact. energy: -0.791
local terms energy: -370.748030
where:
bonds (distance) C4'-P energy: -77.634
bonds (distance) P-C4' energy: -77.660
flat angles C4'-P-C4' energy: -74.764
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -94.673
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: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1101.326163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.326163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.326163 (E_RNA)
where:
Base-Base interactions energy: -728.955
where: short stacking energy: -312.995
Base-Backbone interact. energy: 1.157
local terms energy: -373.528394
where:
bonds (distance) C4'-P energy: -78.951
bonds (distance) P-C4' energy: -69.457
flat angles C4'-P-C4' energy: -78.309
flat angles P-C4'-P energy: -65.077
tors. eta vs tors. theta energy: -81.734
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: 67
Temperature: 1.100000
Total energy: -998.190266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.190266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.190266 (E_RNA)
where:
Base-Base interactions energy: -635.262
where: short stacking energy: -269.132
Base-Backbone interact. energy: 0.737
local terms energy: -363.666018
where:
bonds (distance) C4'-P energy: -73.861
bonds (distance) P-C4' energy: -76.065
flat angles C4'-P-C4' energy: -76.345
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -92.794
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: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -817.703062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.703062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.703062 (E_RNA)
where:
Base-Base interactions energy: -505.302
where: short stacking energy: -230.277
Base-Backbone interact. energy: 1.553
local terms energy: -313.954065
where:
bonds (distance) C4'-P energy: -68.264
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -77.713
flat angles P-C4'-P energy: -41.266
tors. eta vs tors. theta energy: -49.709
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: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -637.904480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.904480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.904480 (E_RNA)
where:
Base-Base interactions energy: -355.098
where: short stacking energy: -199.182
Base-Backbone interact. energy: -0.400
local terms energy: -282.406247
where:
bonds (distance) C4'-P energy: -69.377
bonds (distance) P-C4' energy: -65.112
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -36.985
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: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -634.353872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.353872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.353872 (E_RNA)
where:
Base-Base interactions energy: -350.682
where: short stacking energy: -171.326
Base-Backbone interact. energy: -2.776
local terms energy: -280.896093
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -59.314
flat angles C4'-P-C4' energy: -66.273
flat angles P-C4'-P energy: -51.983
tors. eta vs tors. theta energy: -32.592
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: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -387.420375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.420375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.420375 (E_RNA)
where:
Base-Base interactions energy: -162.367
where: short stacking energy: -115.524
Base-Backbone interact. energy: -1.768
local terms energy: -223.285247
where:
bonds (distance) C4'-P energy: -63.289
bonds (distance) P-C4' energy: -65.209
flat angles C4'-P-C4' energy: -62.824
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -0.254
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: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -325.899910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.899910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.899910 (E_RNA)
where:
Base-Base interactions energy: -132.391
where: short stacking energy: -75.119
Base-Backbone interact. energy: 0.220
local terms energy: -193.728662
where:
bonds (distance) C4'-P energy: -57.238
bonds (distance) P-C4' energy: -73.146
flat angles C4'-P-C4' energy: -56.496
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: 22.021
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: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1326.551570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.551570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.551570 (E_RNA)
where:
Base-Base interactions energy: -906.130
where: short stacking energy: -361.985
Base-Backbone interact. energy: -2.375
local terms energy: -418.047029
where:
bonds (distance) C4'-P energy: -79.898
bonds (distance) P-C4' energy: -82.264
flat angles C4'-P-C4' energy: -82.264
flat angles P-C4'-P energy: -67.752
tors. eta vs tors. theta energy: -105.871
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: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1232.304526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.304526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.304526 (E_RNA)
where:
Base-Base interactions energy: -822.979
where: short stacking energy: -363.229
Base-Backbone interact. energy: -0.964
local terms energy: -408.361946
where:
bonds (distance) C4'-P energy: -70.385
bonds (distance) P-C4' energy: -74.903
flat angles C4'-P-C4' energy: -94.052
flat angles P-C4'-P energy: -56.011
tors. eta vs tors. theta energy: -113.011
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: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1153.980396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.980396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.980396 (E_RNA)
where:
Base-Base interactions energy: -775.831
where: short stacking energy: -300.445
Base-Backbone interact. energy: 1.867
local terms energy: -380.016791
where:
bonds (distance) C4'-P energy: -75.424
bonds (distance) P-C4' energy: -80.542
flat angles C4'-P-C4' energy: -80.844
flat angles P-C4'-P energy: -54.617
tors. eta vs tors. theta energy: -88.590
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: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1098.103559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.103559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.103559 (E_RNA)
where:
Base-Base interactions energy: -724.047
where: short stacking energy: -316.474
Base-Backbone interact. energy: -2.323
local terms energy: -371.733738
where:
bonds (distance) C4'-P energy: -68.014
bonds (distance) P-C4' energy: -75.903
flat angles C4'-P-C4' energy: -82.516
flat angles P-C4'-P energy: -58.368
tors. eta vs tors. theta energy: -86.931
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: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1012.310769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.310769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.310769 (E_RNA)
where:
Base-Base interactions energy: -633.765
where: short stacking energy: -300.258
Base-Backbone interact. energy: -1.311
local terms energy: -377.234943
where:
bonds (distance) C4'-P energy: -70.224
bonds (distance) P-C4' energy: -82.738
flat angles C4'-P-C4' energy: -81.957
flat angles P-C4'-P energy: -52.785
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: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -750.656267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.656267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.656267 (E_RNA)
where:
Base-Base interactions energy: -467.509
where: short stacking energy: -222.774
Base-Backbone interact. energy: -2.161
local terms energy: -280.986902
where:
bonds (distance) C4'-P energy: -51.437
bonds (distance) P-C4' energy: -70.617
flat angles C4'-P-C4' energy: -72.484
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -52.313
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: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -700.841615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.841615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.841615 (E_RNA)
where:
Base-Base interactions energy: -403.766
where: short stacking energy: -219.146
Base-Backbone interact. energy: -1.678
local terms energy: -295.397287
where:
bonds (distance) C4'-P energy: -76.005
bonds (distance) P-C4' energy: -49.185
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -52.467
tors. eta vs tors. theta energy: -45.791
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: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -616.754233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.754233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.754233 (E_RNA)
where:
Base-Base interactions energy: -340.146
where: short stacking energy: -185.702
Base-Backbone interact. energy: -1.254
local terms energy: -275.354676
where:
bonds (distance) C4'-P energy: -69.553
bonds (distance) P-C4' energy: -74.050
flat angles C4'-P-C4' energy: -62.305
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -34.821
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: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -380.295259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.295259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.295259 (E_RNA)
where:
Base-Base interactions energy: -159.272
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.592
local terms energy: -220.431131
where:
bonds (distance) C4'-P energy: -64.378
bonds (distance) P-C4' energy: -66.259
flat angles C4'-P-C4' energy: -50.159
flat angles P-C4'-P energy: -38.451
tors. eta vs tors. theta energy: -1.184
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: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -307.617694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.617694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.617694 (E_RNA)
where:
Base-Base interactions energy: -97.128
where: short stacking energy: -77.114
Base-Backbone interact. energy: 3.033
local terms energy: -213.522199
where:
bonds (distance) C4'-P energy: -61.960
bonds (distance) P-C4' energy: -66.066
flat angles C4'-P-C4' energy: -66.732
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: 16.906
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: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1323.199850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.199850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.199850 (E_RNA)
where:
Base-Base interactions energy: -919.276
where: short stacking energy: -359.698
Base-Backbone interact. energy: -2.480
local terms energy: -401.444226
where:
bonds (distance) C4'-P energy: -74.145
bonds (distance) P-C4' energy: -77.227
flat angles C4'-P-C4' energy: -89.132
flat angles P-C4'-P energy: -57.057
tors. eta vs tors. theta energy: -103.882
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: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1223.672381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.672381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.672381 (E_RNA)
where:
Base-Base interactions energy: -834.540
where: short stacking energy: -385.446
Base-Backbone interact. energy: -0.916
local terms energy: -388.216651
where:
bonds (distance) C4'-P energy: -73.986
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -82.021
flat angles P-C4'-P energy: -60.839
tors. eta vs tors. theta energy: -109.966
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: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1141.264438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.264438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.264438 (E_RNA)
where:
Base-Base interactions energy: -761.380
where: short stacking energy: -311.152
Base-Backbone interact. energy: -1.864
local terms energy: -378.020803
where:
bonds (distance) C4'-P energy: -84.757
bonds (distance) P-C4' energy: -67.496
flat angles C4'-P-C4' energy: -85.761
flat angles P-C4'-P energy: -56.258
tors. eta vs tors. theta energy: -83.749
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: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1139.580192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.580192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.580192 (E_RNA)
where:
Base-Base interactions energy: -772.943
where: short stacking energy: -335.115
Base-Backbone interact. energy: -1.041
local terms energy: -365.595891
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -73.465
flat angles C4'-P-C4' energy: -73.116
flat angles P-C4'-P energy: -56.113
tors. eta vs tors. theta energy: -95.784
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: 69
Temperature: 1.100000
Total energy: -1020.297127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.297127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.297127 (E_RNA)
where:
Base-Base interactions energy: -656.122
where: short stacking energy: -299.720
Base-Backbone interact. energy: -1.525
local terms energy: -362.650065
where:
bonds (distance) C4'-P energy: -71.219
bonds (distance) P-C4' energy: -71.752
flat angles C4'-P-C4' energy: -83.690
flat angles P-C4'-P energy: -49.305
tors. eta vs tors. theta energy: -86.684
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: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -708.263630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.263630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.263630 (E_RNA)
where:
Base-Base interactions energy: -411.241
where: short stacking energy: -226.122
Base-Backbone interact. energy: -0.715
local terms energy: -296.307517
where:
bonds (distance) C4'-P energy: -68.585
bonds (distance) P-C4' energy: -58.286
flat angles C4'-P-C4' energy: -70.456
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -60.959
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: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -752.644041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.644041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.644041 (E_RNA)
where:
Base-Base interactions energy: -449.601
where: short stacking energy: -213.961
Base-Backbone interact. energy: 0.361
local terms energy: -303.403983
where:
bonds (distance) C4'-P energy: -61.653
bonds (distance) P-C4' energy: -74.698
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -43.467
tors. eta vs tors. theta energy: -58.923
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: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -623.434743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.434743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.434743 (E_RNA)
where:
Base-Base interactions energy: -344.621
where: short stacking energy: -185.024
Base-Backbone interact. energy: -1.035
local terms energy: -277.778416
where:
bonds (distance) C4'-P energy: -61.794
bonds (distance) P-C4' energy: -73.907
flat angles C4'-P-C4' energy: -68.776
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -38.583
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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -406.398547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.398547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.398547 (E_RNA)
where:
Base-Base interactions energy: -185.620
where: short stacking energy: -107.541
Base-Backbone interact. energy: 0.897
local terms energy: -221.675485
where:
bonds (distance) C4'-P energy: -72.887
bonds (distance) P-C4' energy: -70.147
flat angles C4'-P-C4' energy: -49.980
flat angles P-C4'-P energy: -31.310
tors. eta vs tors. theta energy: 2.648
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: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -334.952725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.952725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.952725 (E_RNA)
where:
Base-Base interactions energy: -131.314
where: short stacking energy: -86.124
Base-Backbone interact. energy: 1.361
local terms energy: -205.000092
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -65.916
flat angles C4'-P-C4' energy: -50.463
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: 3.196
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: 70
Temperature: 0.900000
Total energy: -1323.118689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.118689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.118689 (E_RNA)
where:
Base-Base interactions energy: -918.026
where: short stacking energy: -363.785
Base-Backbone interact. energy: 0.578
local terms energy: -405.670676
where:
bonds (distance) C4'-P energy: -86.812
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -86.380
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -104.043
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1232.211346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.211346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.211346 (E_RNA)
where:
Base-Base interactions energy: -797.820
where: short stacking energy: -372.439
Base-Backbone interact. energy: -1.144
local terms energy: -433.247312
where:
bonds (distance) C4'-P energy: -84.094
bonds (distance) P-C4' energy: -84.769
flat angles C4'-P-C4' energy: -84.483
flat angles P-C4'-P energy: -64.528
tors. eta vs tors. theta energy: -115.373
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: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1227.319304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.319304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.319304 (E_RNA)
where:
Base-Base interactions energy: -846.504
where: short stacking energy: -345.035
Base-Backbone interact. energy: -1.132
local terms energy: -379.683147
where:
bonds (distance) C4'-P energy: -80.900
bonds (distance) P-C4' energy: -79.815
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -49.042
tors. eta vs tors. theta energy: -100.761
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: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1125.688051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.688051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.688051 (E_RNA)
where:
Base-Base interactions energy: -761.746
where: short stacking energy: -336.874
Base-Backbone interact. energy: -0.980
local terms energy: -362.962446
where:
bonds (distance) C4'-P energy: -71.702
bonds (distance) P-C4' energy: -64.506
flat angles C4'-P-C4' energy: -78.044
flat angles P-C4'-P energy: -55.988
tors. eta vs tors. theta energy: -92.722
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: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -996.347012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.347012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.347012 (E_RNA)
where:
Base-Base interactions energy: -662.866
where: short stacking energy: -284.783
Base-Backbone interact. energy: 4.020
local terms energy: -337.500710
where:
bonds (distance) C4'-P energy: -64.071
bonds (distance) P-C4' energy: -71.631
flat angles C4'-P-C4' energy: -69.499
flat angles P-C4'-P energy: -56.136
tors. eta vs tors. theta energy: -76.164
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: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -740.236982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.236982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.236982 (E_RNA)
where:
Base-Base interactions energy: -430.553
where: short stacking energy: -235.344
Base-Backbone interact. energy: -1.171
local terms energy: -308.513494
where:
bonds (distance) C4'-P energy: -55.451
bonds (distance) P-C4' energy: -72.464
flat angles C4'-P-C4' energy: -77.663
flat angles P-C4'-P energy: -52.104
tors. eta vs tors. theta energy: -50.830
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: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -773.183552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.183552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.183552 (E_RNA)
where:
Base-Base interactions energy: -464.162
where: short stacking energy: -224.780
Base-Backbone interact. energy: 0.938
local terms energy: -309.958987
where:
bonds (distance) C4'-P energy: -56.397
bonds (distance) P-C4' energy: -72.037
flat angles C4'-P-C4' energy: -72.489
flat angles P-C4'-P energy: -44.584
tors. eta vs tors. theta energy: -64.452
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: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -626.168051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.168051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.168051 (E_RNA)
where:
Base-Base interactions energy: -354.521
where: short stacking energy: -174.273
Base-Backbone interact. energy: 3.076
local terms energy: -274.723405
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -83.868
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -23.370
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: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -372.609303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.609303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.609303 (E_RNA)
where:
Base-Base interactions energy: -164.254
where: short stacking energy: -102.079
Base-Backbone interact. energy: 0.692
local terms energy: -209.047839
where:
bonds (distance) C4'-P energy: -72.190
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -36.644
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: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -397.207672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.207672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.207672 (E_RNA)
where:
Base-Base interactions energy: -182.566
where: short stacking energy: -102.544
Base-Backbone interact. energy: -1.276
local terms energy: -213.365453
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -59.567
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -25.289
tors. eta vs tors. theta energy: -3.419
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: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1327.339267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.339267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.339267 (E_RNA)
where:
Base-Base interactions energy: -910.715
where: short stacking energy: -351.051
Base-Backbone interact. energy: -2.197
local terms energy: -414.427359
where:
bonds (distance) C4'-P energy: -76.360
bonds (distance) P-C4' energy: -78.502
flat angles C4'-P-C4' energy: -86.945
flat angles P-C4'-P energy: -68.561
tors. eta vs tors. theta energy: -104.060
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: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1223.642024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.642024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.642024 (E_RNA)
where:
Base-Base interactions energy: -803.787
where: short stacking energy: -372.088
Base-Backbone interact. energy: -0.306
local terms energy: -419.548639
where:
bonds (distance) C4'-P energy: -84.007
bonds (distance) P-C4' energy: -74.812
flat angles C4'-P-C4' energy: -90.042
flat angles P-C4'-P energy: -60.491
tors. eta vs tors. theta energy: -110.196
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: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1208.822568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.822568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.822568 (E_RNA)
where:
Base-Base interactions energy: -837.130
where: short stacking energy: -343.616
Base-Backbone interact. energy: 3.802
local terms energy: -375.493823
where:
bonds (distance) C4'-P energy: -74.571
bonds (distance) P-C4' energy: -86.435
flat angles C4'-P-C4' energy: -79.465
flat angles P-C4'-P energy: -46.767
tors. eta vs tors. theta energy: -88.256
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: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1119.335266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.335266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.335266 (E_RNA)
where:
Base-Base interactions energy: -744.671
where: short stacking energy: -302.203
Base-Backbone interact. energy: 1.598
local terms energy: -376.263063
where:
bonds (distance) C4'-P energy: -81.780
bonds (distance) P-C4' energy: -83.536
flat angles C4'-P-C4' energy: -70.349
flat angles P-C4'-P energy: -52.832
tors. eta vs tors. theta energy: -87.766
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: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1004.169736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.169736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.169736 (E_RNA)
where:
Base-Base interactions energy: -671.000
where: short stacking energy: -286.270
Base-Backbone interact. energy: 2.773
local terms energy: -335.942954
where:
bonds (distance) C4'-P energy: -59.753
bonds (distance) P-C4' energy: -63.221
flat angles C4'-P-C4' energy: -92.378
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -72.408
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: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -718.230181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.230181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.230181 (E_RNA)
where:
Base-Base interactions energy: -427.626
where: short stacking energy: -193.271
Base-Backbone interact. energy: -1.972
local terms energy: -288.632094
where:
bonds (distance) C4'-P energy: -69.907
bonds (distance) P-C4' energy: -71.785
flat angles C4'-P-C4' energy: -60.093
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -35.628
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: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -693.457169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.457169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.457169 (E_RNA)
where:
Base-Base interactions energy: -416.679
where: short stacking energy: -227.065
Base-Backbone interact. energy: -3.259
local terms energy: -273.519517
where:
bonds (distance) C4'-P energy: -55.081
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -68.458
flat angles P-C4'-P energy: -37.551
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: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -569.827754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.827754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.827754 (E_RNA)
where:
Base-Base interactions energy: -310.639
where: short stacking energy: -169.858
Base-Backbone interact. energy: 2.234
local terms energy: -261.422285
where:
bonds (distance) C4'-P energy: -63.814
bonds (distance) P-C4' energy: -58.859
flat angles C4'-P-C4' energy: -75.855
flat angles P-C4'-P energy: -30.600
tors. eta vs tors. theta energy: -32.294
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: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -415.008131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.008131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.008131 (E_RNA)
where:
Base-Base interactions energy: -191.973
where: short stacking energy: -112.663
Base-Backbone interact. energy: 1.621
local terms energy: -224.655744
where:
bonds (distance) C4'-P energy: -67.718
bonds (distance) P-C4' energy: -68.217
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -0.182
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: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -424.466804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.466804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.466804 (E_RNA)
where:
Base-Base interactions energy: -198.521
where: short stacking energy: -130.428
Base-Backbone interact. energy: 0.328
local terms energy: -226.274052
where:
bonds (distance) C4'-P energy: -64.669
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -55.351
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -8.326
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: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1329.833672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.833672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.833672 (E_RNA)
where:
Base-Base interactions energy: -927.493
where: short stacking energy: -387.835
Base-Backbone interact. energy: -0.613
local terms energy: -401.727155
where:
bonds (distance) C4'-P energy: -80.822
bonds (distance) P-C4' energy: -74.104
flat angles C4'-P-C4' energy: -84.079
flat angles P-C4'-P energy: -53.897
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: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1235.233016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.233016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.233016 (E_RNA)
where:
Base-Base interactions energy: -810.088
where: short stacking energy: -379.803
Base-Backbone interact. energy: -0.971
local terms energy: -424.173875
where:
bonds (distance) C4'-P energy: -82.772
bonds (distance) P-C4' energy: -74.511
flat angles C4'-P-C4' energy: -84.482
flat angles P-C4'-P energy: -66.313
tors. eta vs tors. theta energy: -116.096
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: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1253.680696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.680696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.680696 (E_RNA)
where:
Base-Base interactions energy: -861.719
where: short stacking energy: -375.534
Base-Backbone interact. energy: -2.869
local terms energy: -389.092569
where:
bonds (distance) C4'-P energy: -63.336
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -88.590
flat angles P-C4'-P energy: -59.443
tors. eta vs tors. theta energy: -105.740
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: 72
Temperature: 1.050000
Total energy: -1057.160108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.160108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.160108 (E_RNA)
where:
Base-Base interactions energy: -702.644
where: short stacking energy: -300.277
Base-Backbone interact. energy: -0.990
local terms energy: -353.526042
where:
bonds (distance) C4'-P energy: -70.458
bonds (distance) P-C4' energy: -75.550
flat angles C4'-P-C4' energy: -76.761
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: -83.307
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: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1022.072583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.072583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.072583 (E_RNA)
where:
Base-Base interactions energy: -673.060
where: short stacking energy: -297.015
Base-Backbone interact. energy: -2.990
local terms energy: -346.022746
where:
bonds (distance) C4'-P energy: -64.697
bonds (distance) P-C4' energy: -73.937
flat angles C4'-P-C4' energy: -79.115
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -78.299
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: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -734.970385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.970385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.970385 (E_RNA)
where:
Base-Base interactions energy: -429.895
where: short stacking energy: -216.323
Base-Backbone interact. energy: 3.464
local terms energy: -308.538975
where:
bonds (distance) C4'-P energy: -75.230
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -65.845
flat angles P-C4'-P energy: -57.275
tors. eta vs tors. theta energy: -48.710
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: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -643.305292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.305292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.305292 (E_RNA)
where:
Base-Base interactions energy: -380.274
where: short stacking energy: -188.327
Base-Backbone interact. energy: -1.288
local terms energy: -261.743003
where:
bonds (distance) C4'-P energy: -54.317
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -61.126
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -36.276
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: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -608.391508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.391508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.391508 (E_RNA)
where:
Base-Base interactions energy: -352.382
where: short stacking energy: -169.855
Base-Backbone interact. energy: -1.684
local terms energy: -254.325595
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -66.231
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -32.886
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: 72
Temperature: 1.300000
Total energy: -450.669531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.669531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.669531 (E_RNA)
where:
Base-Base interactions energy: -238.043
where: short stacking energy: -113.148
Base-Backbone interact. energy: -0.906
local terms energy: -211.720523
where:
bonds (distance) C4'-P energy: -66.976
bonds (distance) P-C4' energy: -74.808
flat angles C4'-P-C4' energy: -58.787
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -5.476
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: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -377.394654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.394654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.394654 (E_RNA)
where:
Base-Base interactions energy: -167.462
where: short stacking energy: -105.230
Base-Backbone interact. energy: 2.260
local terms energy: -212.193200
where:
bonds (distance) C4'-P energy: -67.343
bonds (distance) P-C4' energy: -52.618
flat angles C4'-P-C4' energy: -58.725
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -5.394
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: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1343.039920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.039920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.039920 (E_RNA)
where:
Base-Base interactions energy: -935.368
where: short stacking energy: -377.170
Base-Backbone interact. energy: -2.976
local terms energy: -404.696160
where:
bonds (distance) C4'-P energy: -70.176
bonds (distance) P-C4' energy: -74.313
flat angles C4'-P-C4' energy: -84.426
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: -116.931
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: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1231.175591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.175591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.175591 (E_RNA)
where:
Base-Base interactions energy: -808.232
where: short stacking energy: -371.402
Base-Backbone interact. energy: -1.911
local terms energy: -421.032907
where:
bonds (distance) C4'-P energy: -81.778
bonds (distance) P-C4' energy: -91.144
flat angles C4'-P-C4' energy: -87.965
flat angles P-C4'-P energy: -52.312
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: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1257.468578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.468578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.468578 (E_RNA)
where:
Base-Base interactions energy: -869.178
where: short stacking energy: -361.357
Base-Backbone interact. energy: -2.792
local terms energy: -385.497934
where:
bonds (distance) C4'-P energy: -77.496
bonds (distance) P-C4' energy: -62.788
flat angles C4'-P-C4' energy: -85.105
flat angles P-C4'-P energy: -56.748
tors. eta vs tors. theta energy: -103.361
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: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1105.835046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.835046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.835046 (E_RNA)
where:
Base-Base interactions energy: -731.103
where: short stacking energy: -294.870
Base-Backbone interact. energy: -2.616
local terms energy: -372.115645
where:
bonds (distance) C4'-P energy: -69.608
bonds (distance) P-C4' energy: -85.562
flat angles C4'-P-C4' energy: -77.457
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -82.583
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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1054.237874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.237874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.237874 (E_RNA)
where:
Base-Base interactions energy: -701.136
where: short stacking energy: -290.670
Base-Backbone interact. energy: -2.239
local terms energy: -350.863308
where:
bonds (distance) C4'-P energy: -69.621
bonds (distance) P-C4' energy: -76.080
flat angles C4'-P-C4' energy: -75.468
flat angles P-C4'-P energy: -51.310
tors. eta vs tors. theta energy: -78.385
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: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -785.717052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.717052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.717052 (E_RNA)
where:
Base-Base interactions energy: -471.965
where: short stacking energy: -227.604
Base-Backbone interact. energy: 0.841
local terms energy: -314.593373
where:
bonds (distance) C4'-P energy: -58.081
bonds (distance) P-C4' energy: -71.082
flat angles C4'-P-C4' energy: -77.337
flat angles P-C4'-P energy: -45.300
tors. eta vs tors. theta energy: -62.793
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: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -717.398000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.398000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.398000 (E_RNA)
where:
Base-Base interactions energy: -421.756
where: short stacking energy: -194.527
Base-Backbone interact. energy: -1.286
local terms energy: -294.355233
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -60.225
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: -37.913
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: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -641.407176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.407176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.407176 (E_RNA)
where:
Base-Base interactions energy: -353.935
where: short stacking energy: -167.989
Base-Backbone interact. energy: 0.369
local terms energy: -287.841726
where:
bonds (distance) C4'-P energy: -66.534
bonds (distance) P-C4' energy: -84.693
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -33.100
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: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -478.067507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.067507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.067507 (E_RNA)
where:
Base-Base interactions energy: -220.535
where: short stacking energy: -125.213
Base-Backbone interact. energy: -0.579
local terms energy: -256.953100
where:
bonds (distance) C4'-P energy: -77.675
bonds (distance) P-C4' energy: -75.529
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -48.422
tors. eta vs tors. theta energy: 3.518
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -342.816704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.816704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.816704 (E_RNA)
where:
Base-Base interactions energy: -113.419
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.611
local terms energy: -228.786586
where:
bonds (distance) C4'-P energy: -72.860
bonds (distance) P-C4' energy: -71.567
flat angles C4'-P-C4' energy: -58.964
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: 8.941
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: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1329.112551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.112551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.112551 (E_RNA)
where:
Base-Base interactions energy: -917.447
where: short stacking energy: -364.102
Base-Backbone interact. energy: -2.373
local terms energy: -409.292471
where:
bonds (distance) C4'-P energy: -76.081
bonds (distance) P-C4' energy: -79.895
flat angles C4'-P-C4' energy: -85.258
flat angles P-C4'-P energy: -58.202
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: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1240.258471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.258471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.258471 (E_RNA)
where:
Base-Base interactions energy: -811.809
where: short stacking energy: -372.953
Base-Backbone interact. energy: -0.542
local terms energy: -427.906990
where:
bonds (distance) C4'-P energy: -81.894
bonds (distance) P-C4' energy: -83.801
flat angles C4'-P-C4' energy: -91.241
flat angles P-C4'-P energy: -56.474
tors. eta vs tors. theta energy: -114.497
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: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1285.223015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.223015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.223015 (E_RNA)
where:
Base-Base interactions energy: -904.968
where: short stacking energy: -367.832
Base-Backbone interact. energy: -1.756
local terms energy: -378.499323
where:
bonds (distance) C4'-P energy: -64.813
bonds (distance) P-C4' energy: -74.668
flat angles C4'-P-C4' energy: -81.757
flat angles P-C4'-P energy: -52.892
tors. eta vs tors. theta energy: -104.369
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: 4, replica: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1128.565307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.565307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.565307 (E_RNA)
where:
Base-Base interactions energy: -748.262
where: short stacking energy: -301.675
Base-Backbone interact. energy: 3.265
local terms energy: -383.568052
where:
bonds (distance) C4'-P energy: -79.932
bonds (distance) P-C4' energy: -73.396
flat angles C4'-P-C4' energy: -85.412
flat angles P-C4'-P energy: -49.234
tors. eta vs tors. theta energy: -95.595
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: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1005.329713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.329713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.329713 (E_RNA)
where:
Base-Base interactions energy: -667.707
where: short stacking energy: -288.796
Base-Backbone interact. energy: -2.014
local terms energy: -335.608950
where:
bonds (distance) C4'-P energy: -73.918
bonds (distance) P-C4' energy: -71.716
flat angles C4'-P-C4' energy: -78.687
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -67.592
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: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -814.007018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.007018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.007018 (E_RNA)
where:
Base-Base interactions energy: -488.003
where: short stacking energy: -240.347
Base-Backbone interact. energy: -1.034
local terms energy: -324.970035
where:
bonds (distance) C4'-P energy: -66.538
bonds (distance) P-C4' energy: -69.304
flat angles C4'-P-C4' energy: -78.613
flat angles P-C4'-P energy: -48.822
tors. eta vs tors. theta energy: -61.693
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: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -729.380147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.380147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.380147 (E_RNA)
where:
Base-Base interactions energy: -412.164
where: short stacking energy: -216.514
Base-Backbone interact. energy: -3.087
local terms energy: -314.129316
where:
bonds (distance) C4'-P energy: -72.053
bonds (distance) P-C4' energy: -69.842
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -60.346
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: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -618.980774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.980774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.980774 (E_RNA)
where:
Base-Base interactions energy: -346.636
where: short stacking energy: -187.311
Base-Backbone interact. energy: -0.344
local terms energy: -272.000179
where:
bonds (distance) C4'-P energy: -55.203
bonds (distance) P-C4' energy: -77.896
flat angles C4'-P-C4' energy: -57.825
flat angles P-C4'-P energy: -50.960
tors. eta vs tors. theta energy: -30.115
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -463.411498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.411498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.411498 (E_RNA)
where:
Base-Base interactions energy: -247.619
where: short stacking energy: -118.052
Base-Backbone interact. energy: 2.479
local terms energy: -218.271450
where:
bonds (distance) C4'-P energy: -54.139
bonds (distance) P-C4' energy: -69.176
flat angles C4'-P-C4' energy: -57.048
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -4.676
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -329.486674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.486674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.486674 (E_RNA)
where:
Base-Base interactions energy: -103.639
where: short stacking energy: -85.626
Base-Backbone interact. energy: -2.407
local terms energy: -223.440739
where:
bonds (distance) C4'-P energy: -59.481
bonds (distance) P-C4' energy: -79.801
flat angles C4'-P-C4' energy: -48.051
flat angles P-C4'-P energy: -35.714
tors. eta vs tors. theta energy: -0.394
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: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1330.853378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.853378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.853378 (E_RNA)
where:
Base-Base interactions energy: -904.341
where: short stacking energy: -361.069
Base-Backbone interact. energy: -0.190
local terms energy: -426.321669
where:
bonds (distance) C4'-P energy: -81.243
bonds (distance) P-C4' energy: -93.427
flat angles C4'-P-C4' energy: -86.545
flat angles P-C4'-P energy: -58.698
tors. eta vs tors. theta energy: -106.409
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: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1282.895116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.895116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.895116 (E_RNA)
where:
Base-Base interactions energy: -880.693
where: short stacking energy: -371.184
Base-Backbone interact. energy: 0.043
local terms energy: -402.245611
where:
bonds (distance) C4'-P energy: -77.852
bonds (distance) P-C4' energy: -78.320
flat angles C4'-P-C4' energy: -82.509
flat angles P-C4'-P energy: -52.186
tors. eta vs tors. theta energy: -111.379
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: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1219.649357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.649357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.649357 (E_RNA)
where:
Base-Base interactions energy: -805.030
where: short stacking energy: -358.620
Base-Backbone interact. energy: -0.991
local terms energy: -413.628122
where:
bonds (distance) C4'-P energy: -75.338
bonds (distance) P-C4' energy: -75.137
flat angles C4'-P-C4' energy: -89.849
flat angles P-C4'-P energy: -58.771
tors. eta vs tors. theta energy: -114.532
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: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1148.482118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.482118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.482118 (E_RNA)
where:
Base-Base interactions energy: -771.661
where: short stacking energy: -321.237
Base-Backbone interact. energy: -2.711
local terms energy: -374.109788
where:
bonds (distance) C4'-P energy: -74.170
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -83.907
flat angles P-C4'-P energy: -59.546
tors. eta vs tors. theta energy: -88.475
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: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1013.558882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.558882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.558882 (E_RNA)
where:
Base-Base interactions energy: -673.348
where: short stacking energy: -290.671
Base-Backbone interact. energy: -0.666
local terms energy: -339.544768
where:
bonds (distance) C4'-P energy: -75.836
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -75.897
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: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -780.541252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.541252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.541252 (E_RNA)
where:
Base-Base interactions energy: -467.218
where: short stacking energy: -240.148
Base-Backbone interact. energy: -1.150
local terms energy: -312.172872
where:
bonds (distance) C4'-P energy: -64.952
bonds (distance) P-C4' energy: -67.783
flat angles C4'-P-C4' energy: -57.723
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -68.926
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: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -677.267818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.267818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.267818 (E_RNA)
where:
Base-Base interactions energy: -384.531
where: short stacking energy: -183.661
Base-Backbone interact. energy: -0.563
local terms energy: -292.173574
where:
bonds (distance) C4'-P energy: -61.887
bonds (distance) P-C4' energy: -84.136
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -34.302
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: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -605.596257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.596257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.596257 (E_RNA)
where:
Base-Base interactions energy: -323.033
where: short stacking energy: -176.891
Base-Backbone interact. energy: 0.803
local terms energy: -283.365661
where:
bonds (distance) C4'-P energy: -61.424
bonds (distance) P-C4' energy: -74.528
flat angles C4'-P-C4' energy: -73.761
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -48.599
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: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -381.624911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.624911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.624911 (E_RNA)
where:
Base-Base interactions energy: -172.493
where: short stacking energy: -89.595
Base-Backbone interact. energy: -2.343
local terms energy: -206.789064
where:
bonds (distance) C4'-P energy: -59.944
bonds (distance) P-C4' energy: -72.334
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: 14.457
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: 75
Temperature: 1.350000
Total energy: -303.908771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.908771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.908771 (E_RNA)
where:
Base-Base interactions energy: -106.912
where: short stacking energy: -88.169
Base-Backbone interact. energy: 6.033
local terms energy: -203.029637
where:
bonds (distance) C4'-P energy: -66.225
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -0.707
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: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1333.207724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.207724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.207724 (E_RNA)
where:
Base-Base interactions energy: -922.443
where: short stacking energy: -373.530
Base-Backbone interact. energy: -2.463
local terms energy: -408.301171
where:
bonds (distance) C4'-P energy: -87.977
bonds (distance) P-C4' energy: -60.107
flat angles C4'-P-C4' energy: -90.991
flat angles P-C4'-P energy: -62.040
tors. eta vs tors. theta energy: -107.186
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: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1306.043005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.043005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.043005 (E_RNA)
where:
Base-Base interactions energy: -913.923
where: short stacking energy: -365.439
Base-Backbone interact. energy: -1.645
local terms energy: -390.474851
where:
bonds (distance) C4'-P energy: -73.811
bonds (distance) P-C4' energy: -80.125
flat angles C4'-P-C4' energy: -78.023
flat angles P-C4'-P energy: -53.288
tors. eta vs tors. theta energy: -105.228
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: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1260.525961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.525961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.525961 (E_RNA)
where:
Base-Base interactions energy: -837.786
where: short stacking energy: -380.444
Base-Backbone interact. energy: -1.626
local terms energy: -421.114428
where:
bonds (distance) C4'-P energy: -84.720
bonds (distance) P-C4' energy: -71.761
flat angles C4'-P-C4' energy: -83.953
flat angles P-C4'-P energy: -62.179
tors. eta vs tors. theta energy: -118.502
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: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1166.504506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.504506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.504506 (E_RNA)
where:
Base-Base interactions energy: -764.805
where: short stacking energy: -302.009
Base-Backbone interact. energy: -0.562
local terms energy: -401.136888
where:
bonds (distance) C4'-P energy: -71.100
bonds (distance) P-C4' energy: -82.076
flat angles C4'-P-C4' energy: -86.434
flat angles P-C4'-P energy: -61.043
tors. eta vs tors. theta energy: -100.483
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: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -949.099455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.099455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.099455 (E_RNA)
where:
Base-Base interactions energy: -620.974
where: short stacking energy: -256.341
Base-Backbone interact. energy: -1.962
local terms energy: -326.163316
where:
bonds (distance) C4'-P energy: -70.674
bonds (distance) P-C4' energy: -62.875
flat angles C4'-P-C4' energy: -82.606
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -62.948
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -751.303550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.303550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.303550 (E_RNA)
where:
Base-Base interactions energy: -428.560
where: short stacking energy: -219.556
Base-Backbone interact. energy: -1.549
local terms energy: -321.194836
where:
bonds (distance) C4'-P energy: -78.805
bonds (distance) P-C4' energy: -80.140
flat angles C4'-P-C4' energy: -67.164
flat angles P-C4'-P energy: -39.234
tors. eta vs tors. theta energy: -55.852
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: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -691.539241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.539241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.539241 (E_RNA)
where:
Base-Base interactions energy: -410.234
where: short stacking energy: -198.780
Base-Backbone interact. energy: -1.231
local terms energy: -280.074120
where:
bonds (distance) C4'-P energy: -58.182
bonds (distance) P-C4' energy: -79.269
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -38.808
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: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -595.278421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.278421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.278421 (E_RNA)
where:
Base-Base interactions energy: -334.153
where: short stacking energy: -171.773
Base-Backbone interact. energy: -0.834
local terms energy: -260.291878
where:
bonds (distance) C4'-P energy: -65.350
bonds (distance) P-C4' energy: -69.113
flat angles C4'-P-C4' energy: -65.124
flat angles P-C4'-P energy: -36.248
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: 76
Temperature: 1.300000
Total energy: -362.738553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.738553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.738553 (E_RNA)
where:
Base-Base interactions energy: -159.398
where: short stacking energy: -109.503
Base-Backbone interact. energy: -1.435
local terms energy: -201.905226
where:
bonds (distance) C4'-P energy: -72.553
bonds (distance) P-C4' energy: -69.368
flat angles C4'-P-C4' energy: -43.265
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: 2.061
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: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -339.924368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.924368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.924368 (E_RNA)
where:
Base-Base interactions energy: -122.612
where: short stacking energy: -95.705
Base-Backbone interact. energy: -2.068
local terms energy: -215.244032
where:
bonds (distance) C4'-P energy: -70.008
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -41.541
tors. eta vs tors. theta energy: 6.156
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: 77
Temperature: 0.900000
Total energy: -1313.750327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.750327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.750327 (E_RNA)
where:
Base-Base interactions energy: -891.565
where: short stacking energy: -347.436
Base-Backbone interact. energy: -0.144
local terms energy: -422.042044
where:
bonds (distance) C4'-P energy: -74.006
bonds (distance) P-C4' energy: -83.238
flat angles C4'-P-C4' energy: -93.670
flat angles P-C4'-P energy: -62.003
tors. eta vs tors. theta energy: -109.126
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: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1279.344204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.344204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.344204 (E_RNA)
where:
Base-Base interactions energy: -847.755
where: short stacking energy: -404.201
Base-Backbone interact. energy: 0.979
local terms energy: -432.567961
where:
bonds (distance) C4'-P energy: -81.386
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -88.682
flat angles P-C4'-P energy: -63.832
tors. eta vs tors. theta energy: -123.673
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: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1254.175292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.175292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.175292 (E_RNA)
where:
Base-Base interactions energy: -862.142
where: short stacking energy: -359.785
Base-Backbone interact. energy: 4.214
local terms energy: -396.247393
where:
bonds (distance) C4'-P energy: -67.110
bonds (distance) P-C4' energy: -74.426
flat angles C4'-P-C4' energy: -90.918
flat angles P-C4'-P energy: -62.475
tors. eta vs tors. theta energy: -101.318
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: 77
Temperature: 1.050000
Total energy: -1162.122979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.122979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.122979 (E_RNA)
where:
Base-Base interactions energy: -774.879
where: short stacking energy: -333.763
Base-Backbone interact. energy: -2.157
local terms energy: -385.086337
where:
bonds (distance) C4'-P energy: -77.805
bonds (distance) P-C4' energy: -79.694
flat angles C4'-P-C4' energy: -85.103
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: -96.984
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -922.552982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.552982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.552982 (E_RNA)
where:
Base-Base interactions energy: -602.115
where: short stacking energy: -260.495
Base-Backbone interact. energy: 1.869
local terms energy: -322.306661
where:
bonds (distance) C4'-P energy: -70.178
bonds (distance) P-C4' energy: -67.826
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -57.186
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: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -737.721539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.721539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.721539 (E_RNA)
where:
Base-Base interactions energy: -414.181
where: short stacking energy: -226.734
Base-Backbone interact. energy: -1.019
local terms energy: -322.522061
where:
bonds (distance) C4'-P energy: -78.684
bonds (distance) P-C4' energy: -72.107
flat angles C4'-P-C4' energy: -73.937
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -50.734
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: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -600.079376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.079376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.079376 (E_RNA)
where:
Base-Base interactions energy: -338.270
where: short stacking energy: -163.035
Base-Backbone interact. energy: -0.798
local terms energy: -261.010803
where:
bonds (distance) C4'-P energy: -63.083
bonds (distance) P-C4' energy: -61.451
flat angles C4'-P-C4' energy: -65.586
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -28.630
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: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -571.917348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.917348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.917348 (E_RNA)
where:
Base-Base interactions energy: -316.110
where: short stacking energy: -174.234
Base-Backbone interact. energy: 3.816
local terms energy: -259.623708
where:
bonds (distance) C4'-P energy: -59.959
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -69.434
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -17.810
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: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -348.945719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.945719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.945719 (E_RNA)
where:
Base-Base interactions energy: -127.409
where: short stacking energy: -97.913
Base-Backbone interact. energy: -0.061
local terms energy: -221.475922
where:
bonds (distance) C4'-P energy: -68.526
bonds (distance) P-C4' energy: -74.048
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -29.707
tors. eta vs tors. theta energy: 21.721
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: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -336.224467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.224467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.224467 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -106.264
Base-Backbone interact. energy: -1.638
local terms energy: -195.274281
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -49.693
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: 3.575
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1328.458741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.458741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.458741 (E_RNA)
where:
Base-Base interactions energy: -918.091
where: short stacking energy: -359.170
Base-Backbone interact. energy: -3.019
local terms energy: -407.348606
where:
bonds (distance) C4'-P energy: -79.308
bonds (distance) P-C4' energy: -78.795
flat angles C4'-P-C4' energy: -77.801
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -110.751
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: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1262.239828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.239828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.239828 (E_RNA)
where:
Base-Base interactions energy: -827.658
where: short stacking energy: -377.312
Base-Backbone interact. energy: -0.175
local terms energy: -434.406844
where:
bonds (distance) C4'-P energy: -78.687
bonds (distance) P-C4' energy: -87.696
flat angles C4'-P-C4' energy: -92.668
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -115.195
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: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1279.727040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.727040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.727040 (E_RNA)
where:
Base-Base interactions energy: -865.795
where: short stacking energy: -357.910
Base-Backbone interact. energy: -1.800
local terms energy: -412.132173
where:
bonds (distance) C4'-P energy: -83.210
bonds (distance) P-C4' energy: -78.433
flat angles C4'-P-C4' energy: -87.515
flat angles P-C4'-P energy: -57.768
tors. eta vs tors. theta energy: -105.205
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: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1086.532751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.532751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.532751 (E_RNA)
where:
Base-Base interactions energy: -712.003
where: short stacking energy: -294.061
Base-Backbone interact. energy: -0.727
local terms energy: -373.802220
where:
bonds (distance) C4'-P energy: -78.173
bonds (distance) P-C4' energy: -79.995
flat angles C4'-P-C4' energy: -90.005
flat angles P-C4'-P energy: -39.715
tors. eta vs tors. theta energy: -85.914
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: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -956.762317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.762317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.762317 (E_RNA)
where:
Base-Base interactions energy: -621.401
where: short stacking energy: -258.359
Base-Backbone interact. energy: 0.564
local terms energy: -335.925012
where:
bonds (distance) C4'-P energy: -80.542
bonds (distance) P-C4' energy: -70.685
flat angles C4'-P-C4' energy: -62.840
flat angles P-C4'-P energy: -55.388
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: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -751.389725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.389725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.389725 (E_RNA)
where:
Base-Base interactions energy: -432.688
where: short stacking energy: -237.294
Base-Backbone interact. energy: -3.311
local terms energy: -315.390140
where:
bonds (distance) C4'-P energy: -55.844
bonds (distance) P-C4' energy: -81.082
flat angles C4'-P-C4' energy: -64.177
flat angles P-C4'-P energy: -44.841
tors. eta vs tors. theta energy: -69.446
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: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -654.358760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.358760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.358760 (E_RNA)
where:
Base-Base interactions energy: -394.366
where: short stacking energy: -179.874
Base-Backbone interact. energy: 0.270
local terms energy: -260.263095
where:
bonds (distance) C4'-P energy: -65.352
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -69.231
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -21.809
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -647.823145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.823145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.823145 (E_RNA)
where:
Base-Base interactions energy: -376.190
where: short stacking energy: -183.338
Base-Backbone interact. energy: 0.766
local terms energy: -272.399065
where:
bonds (distance) C4'-P energy: -58.121
bonds (distance) P-C4' energy: -65.275
flat angles C4'-P-C4' energy: -64.290
flat angles P-C4'-P energy: -48.869
tors. eta vs tors. theta energy: -35.845
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: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -332.897035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.897035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.897035 (E_RNA)
where:
Base-Base interactions energy: -139.335
where: short stacking energy: -79.281
Base-Backbone interact. energy: 3.489
local terms energy: -197.050837
where:
bonds (distance) C4'-P energy: -67.951
bonds (distance) P-C4' energy: -73.893
flat angles C4'-P-C4' energy: -63.481
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: 22.424
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: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -319.932204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.932204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.932204 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -94.583
Base-Backbone interact. energy: -1.577
local terms energy: -215.194400
where:
bonds (distance) C4'-P energy: -68.325
bonds (distance) P-C4' energy: -61.544
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: 5.364
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: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1330.896723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.896723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.896723 (E_RNA)
where:
Base-Base interactions energy: -902.810
where: short stacking energy: -383.980
Base-Backbone interact. energy: -1.215
local terms energy: -426.871642
where:
bonds (distance) C4'-P energy: -75.956
bonds (distance) P-C4' energy: -82.669
flat angles C4'-P-C4' energy: -91.235
flat angles P-C4'-P energy: -59.726
tors. eta vs tors. theta energy: -117.286
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: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1258.138514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.138514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.138514 (E_RNA)
where:
Base-Base interactions energy: -820.063
where: short stacking energy: -367.924
Base-Backbone interact. energy: -1.981
local terms energy: -436.094484
where:
bonds (distance) C4'-P energy: -83.149
bonds (distance) P-C4' energy: -77.955
flat angles C4'-P-C4' energy: -94.375
flat angles P-C4'-P energy: -56.328
tors. eta vs tors. theta energy: -124.287
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: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1274.308768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.308768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.308768 (E_RNA)
where:
Base-Base interactions energy: -878.497
where: short stacking energy: -363.358
Base-Backbone interact. energy: -1.431
local terms energy: -394.380988
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -85.383
flat angles P-C4'-P energy: -58.775
tors. eta vs tors. theta energy: -115.050
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: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1089.380060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.380060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.380060 (E_RNA)
where:
Base-Base interactions energy: -726.297
where: short stacking energy: -300.652
Base-Backbone interact. energy: -0.706
local terms energy: -362.376994
where:
bonds (distance) C4'-P energy: -68.618
bonds (distance) P-C4' energy: -72.179
flat angles C4'-P-C4' energy: -90.851
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -85.749
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: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -969.144906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.144906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.144906 (E_RNA)
where:
Base-Base interactions energy: -630.955
where: short stacking energy: -294.609
Base-Backbone interact. energy: -1.182
local terms energy: -337.008134
where:
bonds (distance) C4'-P energy: -66.767
bonds (distance) P-C4' energy: -69.291
flat angles C4'-P-C4' energy: -74.581
flat angles P-C4'-P energy: -46.503
tors. eta vs tors. theta energy: -79.866
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: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -761.304661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.304661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.304661 (E_RNA)
where:
Base-Base interactions energy: -443.493
where: short stacking energy: -241.782
Base-Backbone interact. energy: -2.001
local terms energy: -315.810586
where:
bonds (distance) C4'-P energy: -71.746
bonds (distance) P-C4' energy: -80.477
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -50.676
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: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -650.503148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.503148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.503148 (E_RNA)
where:
Base-Base interactions energy: -361.671
where: short stacking energy: -190.619
Base-Backbone interact. energy: -0.394
local terms energy: -288.437595
where:
bonds (distance) C4'-P energy: -76.741
bonds (distance) P-C4' energy: -70.842
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -38.196
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: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -601.869188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.869188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.869188 (E_RNA)
where:
Base-Base interactions energy: -337.447
where: short stacking energy: -149.554
Base-Backbone interact. energy: -0.507
local terms energy: -263.914595
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -75.580
flat angles C4'-P-C4' energy: -50.335
flat angles P-C4'-P energy: -51.486
tors. eta vs tors. theta energy: -21.025
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: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -355.596478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.596478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.596478 (E_RNA)
where:
Base-Base interactions energy: -126.040
where: short stacking energy: -96.611
Base-Backbone interact. energy: -3.071
local terms energy: -226.485287
where:
bonds (distance) C4'-P energy: -79.853
bonds (distance) P-C4' energy: -65.993
flat angles C4'-P-C4' energy: -55.012
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: 10.456
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: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -328.130139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.130139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.130139 (E_RNA)
where:
Base-Base interactions energy: -117.732
where: short stacking energy: -98.025
Base-Backbone interact. energy: 2.142
local terms energy: -212.540072
where:
bonds (distance) C4'-P energy: -73.153
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: 8.442
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: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1321.859665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.859665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.859665 (E_RNA)
where:
Base-Base interactions energy: -886.613
where: short stacking energy: -377.381
Base-Backbone interact. energy: 1.467
local terms energy: -436.713242
where:
bonds (distance) C4'-P energy: -89.749
bonds (distance) P-C4' energy: -78.409
flat angles C4'-P-C4' energy: -94.879
flat angles P-C4'-P energy: -58.616
tors. eta vs tors. theta energy: -115.060
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: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1262.604250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.604250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.604250 (E_RNA)
where:
Base-Base interactions energy: -840.623
where: short stacking energy: -379.363
Base-Backbone interact. energy: -0.480
local terms energy: -421.501264
where:
bonds (distance) C4'-P energy: -78.062
bonds (distance) P-C4' energy: -71.725
flat angles C4'-P-C4' energy: -84.858
flat angles P-C4'-P energy: -64.873
tors. eta vs tors. theta energy: -121.983
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: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1221.499922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.499922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.499922 (E_RNA)
where:
Base-Base interactions energy: -845.285
where: short stacking energy: -343.709
Base-Backbone interact. energy: -1.006
local terms energy: -375.209092
where:
bonds (distance) C4'-P energy: -66.788
bonds (distance) P-C4' energy: -76.502
flat angles C4'-P-C4' energy: -79.596
flat angles P-C4'-P energy: -56.535
tors. eta vs tors. theta energy: -95.788
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1080.652910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.652910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.652910 (E_RNA)
where:
Base-Base interactions energy: -714.443
where: short stacking energy: -299.029
Base-Backbone interact. energy: -1.415
local terms energy: -364.794863
where:
bonds (distance) C4'-P energy: -71.951
bonds (distance) P-C4' energy: -77.965
flat angles C4'-P-C4' energy: -78.405
flat angles P-C4'-P energy: -57.323
tors. eta vs tors. theta energy: -79.151
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: 80
Temperature: 1.100000
Total energy: -997.153099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.153099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.153099 (E_RNA)
where:
Base-Base interactions energy: -636.586
where: short stacking energy: -269.666
Base-Backbone interact. energy: -1.839
local terms energy: -358.728214
where:
bonds (distance) C4'-P energy: -77.802
bonds (distance) P-C4' energy: -78.210
flat angles C4'-P-C4' energy: -69.989
flat angles P-C4'-P energy: -58.730
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: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -772.679458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.679458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.679458 (E_RNA)
where:
Base-Base interactions energy: -461.232
where: short stacking energy: -227.869
Base-Backbone interact. energy: -3.821
local terms energy: -307.626795
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -62.793
flat angles C4'-P-C4' energy: -80.068
flat angles P-C4'-P energy: -38.345
tors. eta vs tors. theta energy: -59.222
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: 7, replica: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -728.423505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.423505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.423505 (E_RNA)
where:
Base-Base interactions energy: -436.901
where: short stacking energy: -209.691
Base-Backbone interact. energy: -1.737
local terms energy: -289.785679
where:
bonds (distance) C4'-P energy: -80.472
bonds (distance) P-C4' energy: -72.490
flat angles C4'-P-C4' energy: -76.646
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -35.729
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: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -593.491663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.491663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.491663 (E_RNA)
where:
Base-Base interactions energy: -325.242
where: short stacking energy: -144.215
Base-Backbone interact. energy: 1.522
local terms energy: -269.771837
where:
bonds (distance) C4'-P energy: -59.359
bonds (distance) P-C4' energy: -68.063
flat angles C4'-P-C4' energy: -84.324
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -19.477
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: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -354.507845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.507845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.507845 (E_RNA)
where:
Base-Base interactions energy: -113.716
where: short stacking energy: -98.694
Base-Backbone interact. energy: 2.543
local terms energy: -243.335403
where:
bonds (distance) C4'-P energy: -72.435
bonds (distance) P-C4' energy: -71.629
flat angles C4'-P-C4' energy: -55.191
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: 0.957
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: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -306.219490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.219490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.219490 (E_RNA)
where:
Base-Base interactions energy: -78.589
where: short stacking energy: -59.173
Base-Backbone interact. energy: 1.808
local terms energy: -229.438560
where:
bonds (distance) C4'-P energy: -71.260
bonds (distance) P-C4' energy: -79.468
flat angles C4'-P-C4' energy: -65.253
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: 16.976
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: 81
Temperature: 0.900000
Total energy: -1302.283408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.283408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.283408 (E_RNA)
where:
Base-Base interactions energy: -890.265
where: short stacking energy: -376.879
Base-Backbone interact. energy: -2.878
local terms energy: -409.140371
where:
bonds (distance) C4'-P energy: -81.874
bonds (distance) P-C4' energy: -84.975
flat angles C4'-P-C4' energy: -84.315
flat angles P-C4'-P energy: -47.020
tors. eta vs tors. theta energy: -110.956
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: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1273.959728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.959728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.959728 (E_RNA)
where:
Base-Base interactions energy: -846.394
where: short stacking energy: -380.992
Base-Backbone interact. energy: -1.003
local terms energy: -426.562810
where:
bonds (distance) C4'-P energy: -76.896
bonds (distance) P-C4' energy: -78.588
flat angles C4'-P-C4' energy: -92.798
flat angles P-C4'-P energy: -59.741
tors. eta vs tors. theta energy: -118.539
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: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1253.924603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.924603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.924603 (E_RNA)
where:
Base-Base interactions energy: -844.707
where: short stacking energy: -354.182
Base-Backbone interact. energy: 1.496
local terms energy: -410.713598
where:
bonds (distance) C4'-P energy: -76.476
bonds (distance) P-C4' energy: -81.030
flat angles C4'-P-C4' energy: -84.018
flat angles P-C4'-P energy: -62.656
tors. eta vs tors. theta energy: -106.533
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: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1073.185660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.185660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.185660 (E_RNA)
where:
Base-Base interactions energy: -713.051
where: short stacking energy: -298.218
Base-Backbone interact. energy: -3.209
local terms energy: -356.926103
where:
bonds (distance) C4'-P energy: -69.469
bonds (distance) P-C4' energy: -82.799
flat angles C4'-P-C4' energy: -72.877
flat angles P-C4'-P energy: -55.065
tors. eta vs tors. theta energy: -76.716
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -998.090275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.090275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.090275 (E_RNA)
where:
Base-Base interactions energy: -672.413
where: short stacking energy: -294.186
Base-Backbone interact. energy: -2.000
local terms energy: -323.677527
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -76.188
flat angles C4'-P-C4' energy: -71.533
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: -71.639
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -754.578056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.578056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.578056 (E_RNA)
where:
Base-Base interactions energy: -458.226
where: short stacking energy: -212.436
Base-Backbone interact. energy: 0.991
local terms energy: -297.342900
where:
bonds (distance) C4'-P energy: -60.543
bonds (distance) P-C4' energy: -66.200
flat angles C4'-P-C4' energy: -71.321
flat angles P-C4'-P energy: -53.012
tors. eta vs tors. theta energy: -46.266
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: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -642.264997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.264997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.264997 (E_RNA)
where:
Base-Base interactions energy: -363.078
where: short stacking energy: -199.801
Base-Backbone interact. energy: 2.222
local terms energy: -281.409338
where:
bonds (distance) C4'-P energy: -65.401
bonds (distance) P-C4' energy: -84.467
flat angles C4'-P-C4' energy: -56.782
flat angles P-C4'-P energy: -29.173
tors. eta vs tors. theta energy: -45.585
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -632.738413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.738413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.738413 (E_RNA)
where:
Base-Base interactions energy: -372.673
where: short stacking energy: -178.048
Base-Backbone interact. energy: -1.961
local terms energy: -258.104234
where:
bonds (distance) C4'-P energy: -63.605
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -47.071
tors. eta vs tors. theta energy: -32.100
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: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -375.778842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.778842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.778842 (E_RNA)
where:
Base-Base interactions energy: -157.472
where: short stacking energy: -98.218
Base-Backbone interact. energy: 0.653
local terms energy: -218.960189
where:
bonds (distance) C4'-P energy: -63.397
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -51.632
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: 7.713
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: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -317.331080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.331080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.331080 (E_RNA)
where:
Base-Base interactions energy: -112.568
where: short stacking energy: -95.199
Base-Backbone interact. energy: -0.094
local terms energy: -204.668624
where:
bonds (distance) C4'-P energy: -57.082
bonds (distance) P-C4' energy: -74.885
flat angles C4'-P-C4' energy: -63.122
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: 8.887
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: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1303.557645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.557645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.557645 (E_RNA)
where:
Base-Base interactions energy: -886.457
where: short stacking energy: -372.354
Base-Backbone interact. energy: -3.097
local terms energy: -414.004358
where:
bonds (distance) C4'-P energy: -78.439
bonds (distance) P-C4' energy: -81.059
flat angles C4'-P-C4' energy: -89.413
flat angles P-C4'-P energy: -53.779
tors. eta vs tors. theta energy: -111.315
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: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1277.676937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.676937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.676937 (E_RNA)
where:
Base-Base interactions energy: -856.192
where: short stacking energy: -389.855
Base-Backbone interact. energy: 2.646
local terms energy: -424.130881
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -79.386
flat angles C4'-P-C4' energy: -90.787
flat angles P-C4'-P energy: -58.443
tors. eta vs tors. theta energy: -112.736
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: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1263.910079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.910079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.910079 (E_RNA)
where:
Base-Base interactions energy: -861.641
where: short stacking energy: -355.179
Base-Backbone interact. energy: -2.910
local terms energy: -399.358983
where:
bonds (distance) C4'-P energy: -81.346
bonds (distance) P-C4' energy: -76.643
flat angles C4'-P-C4' energy: -74.022
flat angles P-C4'-P energy: -64.151
tors. eta vs tors. theta energy: -103.197
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: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1115.175014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.175014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.175014 (E_RNA)
where:
Base-Base interactions energy: -774.389
where: short stacking energy: -319.176
Base-Backbone interact. energy: -1.644
local terms energy: -339.141145
where:
bonds (distance) C4'-P energy: -64.772
bonds (distance) P-C4' energy: -72.117
flat angles C4'-P-C4' energy: -76.794
flat angles P-C4'-P energy: -42.854
tors. eta vs tors. theta energy: -82.604
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: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1035.396229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.396229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.396229 (E_RNA)
where:
Base-Base interactions energy: -690.355
where: short stacking energy: -276.192
Base-Backbone interact. energy: -1.093
local terms energy: -343.948252
where:
bonds (distance) C4'-P energy: -77.208
bonds (distance) P-C4' energy: -72.155
flat angles C4'-P-C4' energy: -75.113
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -79.324
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: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -744.739921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.739921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.739921 (E_RNA)
where:
Base-Base interactions energy: -447.740
where: short stacking energy: -235.502
Base-Backbone interact. energy: -0.707
local terms energy: -296.293235
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -77.024
flat angles C4'-P-C4' energy: -61.080
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -49.603
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: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -635.018168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.018168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.018168 (E_RNA)
where:
Base-Base interactions energy: -365.192
where: short stacking energy: -185.062
Base-Backbone interact. energy: 3.193
local terms energy: -273.018831
where:
bonds (distance) C4'-P energy: -67.745
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -72.109
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: -38.113
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -625.893957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.893957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.893957 (E_RNA)
where:
Base-Base interactions energy: -349.521
where: short stacking energy: -168.753
Base-Backbone interact. energy: 1.148
local terms energy: -277.520719
where:
bonds (distance) C4'-P energy: -66.851
bonds (distance) P-C4' energy: -75.011
flat angles C4'-P-C4' energy: -60.727
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -25.348
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: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -352.084944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.084944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.084944 (E_RNA)
where:
Base-Base interactions energy: -127.472
where: short stacking energy: -119.120
Base-Backbone interact. energy: 0.069
local terms energy: -224.682141
where:
bonds (distance) C4'-P energy: -59.778
bonds (distance) P-C4' energy: -72.349
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -39.236
tors. eta vs tors. theta energy: -0.666
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: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -340.403029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.403029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.403029 (E_RNA)
where:
Base-Base interactions energy: -114.609
where: short stacking energy: -95.579
Base-Backbone interact. energy: 2.962
local terms energy: -228.756409
where:
bonds (distance) C4'-P energy: -58.012
bonds (distance) P-C4' energy: -67.454
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -9.469
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: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1282.817741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.817741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.817741 (E_RNA)
where:
Base-Base interactions energy: -872.804
where: short stacking energy: -358.130
Base-Backbone interact. energy: -4.977
local terms energy: -405.036751
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -74.287
flat angles C4'-P-C4' energy: -92.679
flat angles P-C4'-P energy: -63.197
tors. eta vs tors. theta energy: -99.837
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: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1250.692568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.692568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.692568 (E_RNA)
where:
Base-Base interactions energy: -829.632
where: short stacking energy: -386.615
Base-Backbone interact. energy: -1.009
local terms energy: -420.051516
where:
bonds (distance) C4'-P energy: -80.904
bonds (distance) P-C4' energy: -68.930
flat angles C4'-P-C4' energy: -90.112
flat angles P-C4'-P energy: -61.820
tors. eta vs tors. theta energy: -118.286
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: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1248.198485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.198485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.198485 (E_RNA)
where:
Base-Base interactions energy: -847.103
where: short stacking energy: -334.198
Base-Backbone interact. energy: 1.738
local terms energy: -402.832672
where:
bonds (distance) C4'-P energy: -80.555
bonds (distance) P-C4' energy: -77.462
flat angles C4'-P-C4' energy: -91.152
flat angles P-C4'-P energy: -53.298
tors. eta vs tors. theta energy: -100.366
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: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1147.148900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.148900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.148900 (E_RNA)
where:
Base-Base interactions energy: -769.162
where: short stacking energy: -315.828
Base-Backbone interact. energy: -5.359
local terms energy: -372.627183
where:
bonds (distance) C4'-P energy: -81.525
bonds (distance) P-C4' energy: -67.972
flat angles C4'-P-C4' energy: -78.038
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -90.827
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: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1021.441812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.441812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.441812 (E_RNA)
where:
Base-Base interactions energy: -669.468
where: short stacking energy: -286.233
Base-Backbone interact. energy: -2.467
local terms energy: -349.506258
where:
bonds (distance) C4'-P energy: -72.130
bonds (distance) P-C4' energy: -77.295
flat angles C4'-P-C4' energy: -75.567
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -80.255
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: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -804.430533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.430533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.430533 (E_RNA)
where:
Base-Base interactions energy: -462.241
where: short stacking energy: -240.309
Base-Backbone interact. energy: 1.203
local terms energy: -343.393079
where:
bonds (distance) C4'-P energy: -83.998
bonds (distance) P-C4' energy: -80.383
flat angles C4'-P-C4' energy: -80.559
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -53.595
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -632.339931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.339931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.339931 (E_RNA)
where:
Base-Base interactions energy: -371.000
where: short stacking energy: -165.947
Base-Backbone interact. energy: -0.079
local terms energy: -261.261153
where:
bonds (distance) C4'-P energy: -66.842
bonds (distance) P-C4' energy: -79.322
flat angles C4'-P-C4' energy: -54.739
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: -20.629
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: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -628.625120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.625120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.625120 (E_RNA)
where:
Base-Base interactions energy: -377.663
where: short stacking energy: -184.185
Base-Backbone interact. energy: -3.251
local terms energy: -247.711866
where:
bonds (distance) C4'-P energy: -64.995
bonds (distance) P-C4' energy: -45.487
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -43.697
tors. eta vs tors. theta energy: -27.932
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: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -360.728092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.728092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.728092 (E_RNA)
where:
Base-Base interactions energy: -142.854
where: short stacking energy: -123.227
Base-Backbone interact. energy: -0.274
local terms energy: -217.600570
where:
bonds (distance) C4'-P energy: -67.937
bonds (distance) P-C4' energy: -65.733
flat angles C4'-P-C4' energy: -50.802
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -6.237
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: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -306.730742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.730742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.730742 (E_RNA)
where:
Base-Base interactions energy: -85.880
where: short stacking energy: -71.253
Base-Backbone interact. energy: 4.217
local terms energy: -225.067842
where:
bonds (distance) C4'-P energy: -73.910
bonds (distance) P-C4' energy: -79.477
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -35.614
tors. eta vs tors. theta energy: 25.282
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: 84
Temperature: 0.900000
Total energy: -1327.206643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.206643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.206643 (E_RNA)
where:
Base-Base interactions energy: -897.612
where: short stacking energy: -388.520
Base-Backbone interact. energy: -0.326
local terms energy: -429.268811
where:
bonds (distance) C4'-P energy: -86.321
bonds (distance) P-C4' energy: -78.920
flat angles C4'-P-C4' energy: -88.878
flat angles P-C4'-P energy: -63.909
tors. eta vs tors. theta energy: -111.241
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1249.374860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.374860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.374860 (E_RNA)
where:
Base-Base interactions energy: -837.672
where: short stacking energy: -374.385
Base-Backbone interact. energy: -0.142
local terms energy: -411.561055
where:
bonds (distance) C4'-P energy: -79.060
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -89.118
flat angles P-C4'-P energy: -59.627
tors. eta vs tors. theta energy: -118.221
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: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1233.177167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.177167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.177167 (E_RNA)
where:
Base-Base interactions energy: -844.792
where: short stacking energy: -347.057
Base-Backbone interact. energy: -0.464
local terms energy: -387.920499
where:
bonds (distance) C4'-P energy: -76.648
bonds (distance) P-C4' energy: -81.100
flat angles C4'-P-C4' energy: -84.692
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -101.614
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1134.234981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.234981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.234981 (E_RNA)
where:
Base-Base interactions energy: -764.591
where: short stacking energy: -300.088
Base-Backbone interact. energy: -3.681
local terms energy: -365.962408
where:
bonds (distance) C4'-P energy: -68.122
bonds (distance) P-C4' energy: -72.341
flat angles C4'-P-C4' energy: -78.097
flat angles P-C4'-P energy: -60.328
tors. eta vs tors. theta energy: -87.074
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: 84
Temperature: 1.100000
Total energy: -1001.080153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.080153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.080153 (E_RNA)
where:
Base-Base interactions energy: -683.354
where: short stacking energy: -276.128
Base-Backbone interact. energy: 2.406
local terms energy: -320.132297
where:
bonds (distance) C4'-P energy: -73.929
bonds (distance) P-C4' energy: -66.046
flat angles C4'-P-C4' energy: -71.541
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -69.309
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: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -680.727038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.727038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.727038 (E_RNA)
where:
Base-Base interactions energy: -366.949
where: short stacking energy: -199.794
Base-Backbone interact. energy: -0.010
local terms energy: -313.768036
where:
bonds (distance) C4'-P energy: -74.226
bonds (distance) P-C4' energy: -79.946
flat angles C4'-P-C4' energy: -75.603
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -42.619
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -601.826603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.826603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.826603 (E_RNA)
where:
Base-Base interactions energy: -330.170
where: short stacking energy: -182.218
Base-Backbone interact. energy: 2.708
local terms energy: -274.364983
where:
bonds (distance) C4'-P energy: -68.117
bonds (distance) P-C4' energy: -74.038
flat angles C4'-P-C4' energy: -72.261
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -15.515
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: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -686.874781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.874781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.874781 (E_RNA)
where:
Base-Base interactions energy: -406.520
where: short stacking energy: -173.648
Base-Backbone interact. energy: -2.225
local terms energy: -278.130315
where:
bonds (distance) C4'-P energy: -67.066
bonds (distance) P-C4' energy: -76.024
flat angles C4'-P-C4' energy: -70.437
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: -26.693
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: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -360.135937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.135937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.135937 (E_RNA)
where:
Base-Base interactions energy: -141.995
where: short stacking energy: -94.642
Base-Backbone interact. energy: 5.228
local terms energy: -223.368615
where:
bonds (distance) C4'-P energy: -70.402
bonds (distance) P-C4' energy: -79.303
flat angles C4'-P-C4' energy: -51.854
flat angles P-C4'-P energy: -41.215
tors. eta vs tors. theta energy: 19.406
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: 84
Temperature: 1.350000
Total energy: -347.169784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.169784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.169784 (E_RNA)
where:
Base-Base interactions energy: -112.783
where: short stacking energy: -109.347
Base-Backbone interact. energy: 1.375
local terms energy: -235.762214
where:
bonds (distance) C4'-P energy: -66.903
bonds (distance) P-C4' energy: -82.291
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: 7.289
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: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1322.107129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.107129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.107129 (E_RNA)
where:
Base-Base interactions energy: -905.390
where: short stacking energy: -370.512
Base-Backbone interact. energy: -2.679
local terms energy: -414.038618
where:
bonds (distance) C4'-P energy: -77.132
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -87.620
flat angles P-C4'-P energy: -61.316
tors. eta vs tors. theta energy: -112.934
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: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1245.736188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.736188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.736188 (E_RNA)
where:
Base-Base interactions energy: -825.618
where: short stacking energy: -373.224
Base-Backbone interact. energy: -1.465
local terms energy: -418.653833
where:
bonds (distance) C4'-P energy: -72.319
bonds (distance) P-C4' energy: -79.576
flat angles C4'-P-C4' energy: -94.025
flat angles P-C4'-P energy: -60.735
tors. eta vs tors. theta energy: -111.999
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: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1250.895503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.895503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.895503 (E_RNA)
where:
Base-Base interactions energy: -845.999
where: short stacking energy: -337.426
Base-Backbone interact. energy: 0.466
local terms energy: -405.363241
where:
bonds (distance) C4'-P energy: -73.587
bonds (distance) P-C4' energy: -77.314
flat angles C4'-P-C4' energy: -82.246
flat angles P-C4'-P energy: -64.566
tors. eta vs tors. theta energy: -107.650
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: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1123.666536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.666536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.666536 (E_RNA)
where:
Base-Base interactions energy: -750.156
where: short stacking energy: -313.275
Base-Backbone interact. energy: -2.556
local terms energy: -370.954548
where:
bonds (distance) C4'-P energy: -69.816
bonds (distance) P-C4' energy: -82.346
flat angles C4'-P-C4' energy: -82.264
flat angles P-C4'-P energy: -52.863
tors. eta vs tors. theta energy: -83.666
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: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -998.220458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.220458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.220458 (E_RNA)
where:
Base-Base interactions energy: -656.873
where: short stacking energy: -262.116
Base-Backbone interact. energy: -0.706
local terms energy: -340.640919
where:
bonds (distance) C4'-P energy: -69.789
bonds (distance) P-C4' energy: -76.165
flat angles C4'-P-C4' energy: -77.470
flat angles P-C4'-P energy: -51.231
tors. eta vs tors. theta energy: -65.987
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: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -662.588924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.588924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.588924 (E_RNA)
where:
Base-Base interactions energy: -360.312
where: short stacking energy: -172.816
Base-Backbone interact. energy: -2.112
local terms energy: -300.164793
where:
bonds (distance) C4'-P energy: -76.877
bonds (distance) P-C4' energy: -79.598
flat angles C4'-P-C4' energy: -61.918
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -43.256
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: 85
Temperature: 1.200000
Total energy: -618.525064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.525064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.525064 (E_RNA)
where:
Base-Base interactions energy: -336.298
where: short stacking energy: -188.867
Base-Backbone interact. energy: -1.873
local terms energy: -280.353612
where:
bonds (distance) C4'-P energy: -68.317
bonds (distance) P-C4' energy: -82.182
flat angles C4'-P-C4' energy: -78.279
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -26.079
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: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -618.481520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.481520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.481520 (E_RNA)
where:
Base-Base interactions energy: -378.351
where: short stacking energy: -179.389
Base-Backbone interact. energy: -0.389
local terms energy: -239.741151
where:
bonds (distance) C4'-P energy: -38.201
bonds (distance) P-C4' energy: -57.213
flat angles C4'-P-C4' energy: -62.735
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: -39.541
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: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -369.948051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.948051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.948051 (E_RNA)
where:
Base-Base interactions energy: -144.451
where: short stacking energy: -103.739
Base-Backbone interact. energy: -1.283
local terms energy: -224.213788
where:
bonds (distance) C4'-P energy: -73.192
bonds (distance) P-C4' energy: -68.707
flat angles C4'-P-C4' energy: -60.345
flat angles P-C4'-P energy: -35.968
tors. eta vs tors. theta energy: 13.999
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -317.756582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.756582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.756582 (E_RNA)
where:
Base-Base interactions energy: -109.881
where: short stacking energy: -80.646
Base-Backbone interact. energy: 1.983
local terms energy: -209.858546
where:
bonds (distance) C4'-P energy: -63.307
bonds (distance) P-C4' energy: -71.668
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: 15.612
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: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1299.597003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.597003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.597003 (E_RNA)
where:
Base-Base interactions energy: -867.207
where: short stacking energy: -389.335
Base-Backbone interact. energy: -1.654
local terms energy: -430.736227
where:
bonds (distance) C4'-P energy: -78.273
bonds (distance) P-C4' energy: -74.804
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -64.817
tors. eta vs tors. theta energy: -115.200
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: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1279.889596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.889596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.889596 (E_RNA)
where:
Base-Base interactions energy: -892.001
where: short stacking energy: -370.053
Base-Backbone interact. energy: -2.717
local terms energy: -385.171133
where:
bonds (distance) C4'-P energy: -70.964
bonds (distance) P-C4' energy: -75.283
flat angles C4'-P-C4' energy: -86.222
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -102.469
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: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1252.644000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.644000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.644000 (E_RNA)
where:
Base-Base interactions energy: -851.768
where: short stacking energy: -361.439
Base-Backbone interact. energy: -2.626
local terms energy: -398.249664
where:
bonds (distance) C4'-P energy: -79.084
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -73.889
flat angles P-C4'-P energy: -66.623
tors. eta vs tors. theta energy: -107.612
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: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1130.798992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.798992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.798992 (E_RNA)
where:
Base-Base interactions energy: -755.050
where: short stacking energy: -313.715
Base-Backbone interact. energy: -2.997
local terms energy: -372.752067
where:
bonds (distance) C4'-P energy: -72.389
bonds (distance) P-C4' energy: -81.655
flat angles C4'-P-C4' energy: -83.418
flat angles P-C4'-P energy: -56.850
tors. eta vs tors. theta energy: -78.440
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1022.040473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.040473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.040473 (E_RNA)
where:
Base-Base interactions energy: -670.525
where: short stacking energy: -281.040
Base-Backbone interact. energy: -2.258
local terms energy: -349.257023
where:
bonds (distance) C4'-P energy: -81.285
bonds (distance) P-C4' energy: -71.143
flat angles C4'-P-C4' energy: -69.277
flat angles P-C4'-P energy: -52.848
tors. eta vs tors. theta energy: -74.704
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: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -671.650898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.650898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.650898 (E_RNA)
where:
Base-Base interactions energy: -375.246
where: short stacking energy: -177.007
Base-Backbone interact. energy: -2.400
local terms energy: -294.005444
where:
bonds (distance) C4'-P energy: -70.347
bonds (distance) P-C4' energy: -75.228
flat angles C4'-P-C4' energy: -72.927
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -41.797
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: 86
Temperature: 1.200000
Total energy: -635.261705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.261705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.261705 (E_RNA)
where:
Base-Base interactions energy: -374.562
where: short stacking energy: -190.923
Base-Backbone interact. energy: -1.752
local terms energy: -258.947695
where:
bonds (distance) C4'-P energy: -68.082
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -65.169
flat angles P-C4'-P energy: -34.106
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)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -616.139548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.139548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.139548 (E_RNA)
where:
Base-Base interactions energy: -344.040
where: short stacking energy: -157.221
Base-Backbone interact. energy: -2.073
local terms energy: -270.026166
where:
bonds (distance) C4'-P energy: -67.825
bonds (distance) P-C4' energy: -65.519
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -52.513
tors. eta vs tors. theta energy: -29.329
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: 86
Temperature: 1.300000
Total energy: -343.656211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.656211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.656211 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -84.136
Base-Backbone interact. energy: 1.693
local terms energy: -214.713354
where:
bonds (distance) C4'-P energy: -65.389
bonds (distance) P-C4' energy: -65.893
flat angles C4'-P-C4' energy: -67.309
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: 8.914
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: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -310.703707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.703707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.703707 (E_RNA)
where:
Base-Base interactions energy: -123.794
where: short stacking energy: -79.807
Base-Backbone interact. energy: 1.531
local terms energy: -188.440877
where:
bonds (distance) C4'-P energy: -78.307
bonds (distance) P-C4' energy: -59.206
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: 12.709
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: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1293.267847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.267847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.267847 (E_RNA)
where:
Base-Base interactions energy: -871.884
where: short stacking energy: -386.516
Base-Backbone interact. energy: -2.517
local terms energy: -418.866376
where:
bonds (distance) C4'-P energy: -70.100
bonds (distance) P-C4' energy: -79.377
flat angles C4'-P-C4' energy: -87.642
flat angles P-C4'-P energy: -60.579
tors. eta vs tors. theta energy: -121.169
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: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1297.728744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.728744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.728744 (E_RNA)
where:
Base-Base interactions energy: -895.414
where: short stacking energy: -349.869
Base-Backbone interact. energy: -0.612
local terms energy: -401.702569
where:
bonds (distance) C4'-P energy: -72.805
bonds (distance) P-C4' energy: -73.489
flat angles C4'-P-C4' energy: -92.185
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -101.601
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: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1222.125437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.125437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.125437 (E_RNA)
where:
Base-Base interactions energy: -843.161
where: short stacking energy: -347.672
Base-Backbone interact. energy: -1.484
local terms energy: -377.481041
where:
bonds (distance) C4'-P energy: -64.811
bonds (distance) P-C4' energy: -78.345
flat angles C4'-P-C4' energy: -85.951
flat angles P-C4'-P energy: -52.075
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: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1107.644366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.644366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.644366 (E_RNA)
where:
Base-Base interactions energy: -734.966
where: short stacking energy: -320.571
Base-Backbone interact. energy: -2.338
local terms energy: -370.340074
where:
bonds (distance) C4'-P energy: -73.521
bonds (distance) P-C4' energy: -76.498
flat angles C4'-P-C4' energy: -80.051
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -94.306
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -977.427907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.427907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.427907 (E_RNA)
where:
Base-Base interactions energy: -649.320
where: short stacking energy: -256.739
Base-Backbone interact. energy: -1.777
local terms energy: -326.331218
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -76.544
flat angles C4'-P-C4' energy: -70.090
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -66.943
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -699.645340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.645340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.645340 (E_RNA)
where:
Base-Base interactions energy: -414.002
where: short stacking energy: -214.656
Base-Backbone interact. energy: -0.220
local terms energy: -285.422777
where:
bonds (distance) C4'-P energy: -62.502
bonds (distance) P-C4' energy: -71.610
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -44.356
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: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -673.421443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.421443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.421443 (E_RNA)
where:
Base-Base interactions energy: -399.169
where: short stacking energy: -206.278
Base-Backbone interact. energy: -4.179
local terms energy: -270.073902
where:
bonds (distance) C4'-P energy: -57.513
bonds (distance) P-C4' energy: -62.796
flat angles C4'-P-C4' energy: -75.020
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -32.997
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: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -637.682364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.682364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.682364 (E_RNA)
where:
Base-Base interactions energy: -356.630
where: short stacking energy: -195.487
Base-Backbone interact. energy: 0.149
local terms energy: -281.201205
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -77.615
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -39.172
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: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -330.942971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.942971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.942971 (E_RNA)
where:
Base-Base interactions energy: -120.507
where: short stacking energy: -68.934
Base-Backbone interact. energy: -1.699
local terms energy: -208.737414
where:
bonds (distance) C4'-P energy: -69.336
bonds (distance) P-C4' energy: -68.826
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: 32.061
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -322.149522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.149522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.149522 (E_RNA)
where:
Base-Base interactions energy: -96.417
where: short stacking energy: -67.421
Base-Backbone interact. energy: 0.471
local terms energy: -226.204010
where:
bonds (distance) C4'-P energy: -59.791
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -44.781
tors. eta vs tors. theta energy: 23.584
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: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1327.133870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.133870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.133870 (E_RNA)
where:
Base-Base interactions energy: -915.043
where: short stacking energy: -377.201
Base-Backbone interact. energy: 1.132
local terms energy: -413.222094
where:
bonds (distance) C4'-P energy: -87.882
bonds (distance) P-C4' energy: -77.052
flat angles C4'-P-C4' energy: -85.625
flat angles P-C4'-P energy: -59.438
tors. eta vs tors. theta energy: -103.225
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: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1274.818394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.818394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.818394 (E_RNA)
where:
Base-Base interactions energy: -848.801
where: short stacking energy: -391.273
Base-Backbone interact. energy: -0.976
local terms energy: -425.041003
where:
bonds (distance) C4'-P energy: -81.231
bonds (distance) P-C4' energy: -74.864
flat angles C4'-P-C4' energy: -92.652
flat angles P-C4'-P energy: -50.325
tors. eta vs tors. theta energy: -125.969
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1240.035067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.035067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.035067 (E_RNA)
where:
Base-Base interactions energy: -828.946
where: short stacking energy: -349.203
Base-Backbone interact. energy: -0.709
local terms energy: -410.380164
where:
bonds (distance) C4'-P energy: -81.238
bonds (distance) P-C4' energy: -81.176
flat angles C4'-P-C4' energy: -94.808
flat angles P-C4'-P energy: -55.418
tors. eta vs tors. theta energy: -97.740
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1139.484265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.484265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.484265 (E_RNA)
where:
Base-Base interactions energy: -766.045
where: short stacking energy: -321.920
Base-Backbone interact. energy: -2.917
local terms energy: -370.522649
where:
bonds (distance) C4'-P energy: -57.653
bonds (distance) P-C4' energy: -81.531
flat angles C4'-P-C4' energy: -88.492
flat angles P-C4'-P energy: -51.899
tors. eta vs tors. theta energy: -90.948
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1032.918550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.918550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.918550 (E_RNA)
where:
Base-Base interactions energy: -684.154
where: short stacking energy: -282.494
Base-Backbone interact. energy: -0.240
local terms energy: -348.524098
where:
bonds (distance) C4'-P energy: -60.919
bonds (distance) P-C4' energy: -75.395
flat angles C4'-P-C4' energy: -89.911
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -79.814
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: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -707.522464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.522464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.522464 (E_RNA)
where:
Base-Base interactions energy: -406.948
where: short stacking energy: -188.096
Base-Backbone interact. energy: 1.714
local terms energy: -302.288189
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -72.422
flat angles C4'-P-C4' energy: -75.147
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -36.261
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: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -675.733554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.733554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.733554 (E_RNA)
where:
Base-Base interactions energy: -388.373
where: short stacking energy: -182.120
Base-Backbone interact. energy: -0.234
local terms energy: -287.125735
where:
bonds (distance) C4'-P energy: -77.102
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -74.886
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -35.784
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: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -622.113935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.113935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.113935 (E_RNA)
where:
Base-Base interactions energy: -342.656
where: short stacking energy: -174.331
Base-Backbone interact. energy: -1.550
local terms energy: -277.907783
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -66.787
flat angles C4'-P-C4' energy: -71.435
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -27.416
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: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -353.278771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.278771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.278771 (E_RNA)
where:
Base-Base interactions energy: -118.748
where: short stacking energy: -105.303
Base-Backbone interact. energy: -1.052
local terms energy: -233.478816
where:
bonds (distance) C4'-P energy: -52.027
bonds (distance) P-C4' energy: -69.642
flat angles C4'-P-C4' energy: -68.904
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -3.356
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: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -317.765351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.765351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.765351 (E_RNA)
where:
Base-Base interactions energy: -104.334
where: short stacking energy: -97.493
Base-Backbone interact. energy: -1.557
local terms energy: -211.874038
where:
bonds (distance) C4'-P energy: -54.588
bonds (distance) P-C4' energy: -68.407
flat angles C4'-P-C4' energy: -63.022
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: 10.670
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: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1334.261715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.261715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.261715 (E_RNA)
where:
Base-Base interactions energy: -912.809
where: short stacking energy: -379.166
Base-Backbone interact. energy: -1.689
local terms energy: -419.764520
where:
bonds (distance) C4'-P energy: -69.866
bonds (distance) P-C4' energy: -76.411
flat angles C4'-P-C4' energy: -90.619
flat angles P-C4'-P energy: -65.248
tors. eta vs tors. theta energy: -117.620
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: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1279.154032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.154032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.154032 (E_RNA)
where:
Base-Base interactions energy: -848.291
where: short stacking energy: -390.390
Base-Backbone interact. energy: -1.260
local terms energy: -429.603051
where:
bonds (distance) C4'-P energy: -83.654
bonds (distance) P-C4' energy: -84.713
flat angles C4'-P-C4' energy: -88.264
flat angles P-C4'-P energy: -54.246
tors. eta vs tors. theta energy: -118.725
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: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1245.179161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.179161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.179161 (E_RNA)
where:
Base-Base interactions energy: -838.106
where: short stacking energy: -348.505
Base-Backbone interact. energy: -3.284
local terms energy: -403.788702
where:
bonds (distance) C4'-P energy: -73.672
bonds (distance) P-C4' energy: -80.592
flat angles C4'-P-C4' energy: -85.163
flat angles P-C4'-P energy: -56.732
tors. eta vs tors. theta energy: -107.629
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: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1125.189515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.189515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.189515 (E_RNA)
where:
Base-Base interactions energy: -756.944
where: short stacking energy: -303.808
Base-Backbone interact. energy: 3.107
local terms energy: -371.352604
where:
bonds (distance) C4'-P energy: -68.096
bonds (distance) P-C4' energy: -76.988
flat angles C4'-P-C4' energy: -74.225
flat angles P-C4'-P energy: -59.112
tors. eta vs tors. theta energy: -92.932
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -983.673429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.673429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.673429 (E_RNA)
where:
Base-Base interactions energy: -653.821
where: short stacking energy: -276.559
Base-Backbone interact. energy: 0.982
local terms energy: -330.833971
where:
bonds (distance) C4'-P energy: -69.808
bonds (distance) P-C4' energy: -75.357
flat angles C4'-P-C4' energy: -69.456
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -69.062
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: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -706.799405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.799405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.799405 (E_RNA)
where:
Base-Base interactions energy: -402.816
where: short stacking energy: -175.208
Base-Backbone interact. energy: -1.923
local terms energy: -302.060587
where:
bonds (distance) C4'-P energy: -81.058
bonds (distance) P-C4' energy: -72.098
flat angles C4'-P-C4' energy: -64.670
flat angles P-C4'-P energy: -48.102
tors. eta vs tors. theta energy: -36.133
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: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -684.995858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.995858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.995858 (E_RNA)
where:
Base-Base interactions energy: -398.234
where: short stacking energy: -201.128
Base-Backbone interact. energy: 3.684
local terms energy: -290.445870
where:
bonds (distance) C4'-P energy: -56.173
bonds (distance) P-C4' energy: -78.706
flat angles C4'-P-C4' energy: -59.512
flat angles P-C4'-P energy: -47.724
tors. eta vs tors. theta energy: -48.330
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: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -678.057074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.057074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.057074 (E_RNA)
where:
Base-Base interactions energy: -407.289
where: short stacking energy: -202.695
Base-Backbone interact. energy: -1.815
local terms energy: -268.953941
where:
bonds (distance) C4'-P energy: -62.230
bonds (distance) P-C4' energy: -66.248
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -34.891
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -355.551220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.551220 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -112.796
Base-Backbone interact. energy: -0.300
local terms energy: -233.004739
where:
bonds (distance) C4'-P energy: -67.733
bonds (distance) P-C4' energy: -66.080
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -41.647
tors. eta vs tors. theta energy: 8.079
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: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -338.532356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.532356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.532356 (E_RNA)
where:
Base-Base interactions energy: -127.511
where: short stacking energy: -110.532
Base-Backbone interact. energy: 2.888
local terms energy: -213.909132
where:
bonds (distance) C4'-P energy: -58.188
bonds (distance) P-C4' energy: -64.922
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -7.487
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: 90
Temperature: 0.900000
Total energy: -1348.130269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.130269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.130269 (E_RNA)
where:
Base-Base interactions energy: -911.155
where: short stacking energy: -393.326
Base-Backbone interact. energy: -2.141
local terms energy: -434.834454
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -74.241
flat angles C4'-P-C4' energy: -90.450
flat angles P-C4'-P energy: -65.425
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: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1294.904977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.904977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.904977 (E_RNA)
where:
Base-Base interactions energy: -835.309
where: short stacking energy: -391.157
Base-Backbone interact. energy: -1.270
local terms energy: -458.325621
where:
bonds (distance) C4'-P energy: -84.814
bonds (distance) P-C4' energy: -84.010
flat angles C4'-P-C4' energy: -96.017
flat angles P-C4'-P energy: -70.910
tors. eta vs tors. theta energy: -122.574
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: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1259.988103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.988103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.988103 (E_RNA)
where:
Base-Base interactions energy: -847.864
where: short stacking energy: -367.306
Base-Backbone interact. energy: -0.165
local terms energy: -411.959879
where:
bonds (distance) C4'-P energy: -71.081
bonds (distance) P-C4' energy: -81.880
flat angles C4'-P-C4' energy: -92.565
flat angles P-C4'-P energy: -53.356
tors. eta vs tors. theta energy: -113.079
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: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1063.976351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.976351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.976351 (E_RNA)
where:
Base-Base interactions energy: -713.162
where: short stacking energy: -299.009
Base-Backbone interact. energy: -0.150
local terms energy: -350.664102
where:
bonds (distance) C4'-P energy: -64.086
bonds (distance) P-C4' energy: -73.480
flat angles C4'-P-C4' energy: -72.454
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -78.486
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: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1003.927746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.927746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.927746 (E_RNA)
where:
Base-Base interactions energy: -663.494
where: short stacking energy: -270.789
Base-Backbone interact. energy: -0.317
local terms energy: -340.116423
where:
bonds (distance) C4'-P energy: -71.884
bonds (distance) P-C4' energy: -67.954
flat angles C4'-P-C4' energy: -76.554
flat angles P-C4'-P energy: -46.315
tors. eta vs tors. theta energy: -77.410
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: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -671.960731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.960731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.960731 (E_RNA)
where:
Base-Base interactions energy: -381.901
where: short stacking energy: -180.818
Base-Backbone interact. energy: -1.551
local terms energy: -288.508513
where:
bonds (distance) C4'-P energy: -66.817
bonds (distance) P-C4' energy: -63.602
flat angles C4'-P-C4' energy: -78.969
flat angles P-C4'-P energy: -48.261
tors. eta vs tors. theta energy: -30.860
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -732.760829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.760829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.760829 (E_RNA)
where:
Base-Base interactions energy: -434.990
where: short stacking energy: -187.356
Base-Backbone interact. energy: -1.672
local terms energy: -296.098594
where:
bonds (distance) C4'-P energy: -69.507
bonds (distance) P-C4' energy: -84.215
flat angles C4'-P-C4' energy: -65.209
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -32.116
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: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -628.501633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.501633 (E_RNA)
where:
Base-Base interactions energy: -377.096
where: short stacking energy: -160.878
Base-Backbone interact. energy: -0.219
local terms energy: -251.186146
where:
bonds (distance) C4'-P energy: -62.496
bonds (distance) P-C4' energy: -67.313
flat angles C4'-P-C4' energy: -63.739
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -19.882
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: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -356.753508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.753508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.753508 (E_RNA)
where:
Base-Base interactions energy: -116.319
where: short stacking energy: -110.497
Base-Backbone interact. energy: -1.087
local terms energy: -239.347382
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -67.626
flat angles C4'-P-C4' energy: -63.714
flat angles P-C4'-P energy: -38.222
tors. eta vs tors. theta energy: -3.123
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: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -299.418122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.418122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.418122 (E_RNA)
where:
Base-Base interactions energy: -77.770
where: short stacking energy: -62.267
Base-Backbone interact. energy: -1.203
local terms energy: -220.445730
where:
bonds (distance) C4'-P energy: -71.217
bonds (distance) P-C4' energy: -71.926
flat angles C4'-P-C4' energy: -67.121
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: 14.462
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: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1346.729931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.729931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.729931 (E_RNA)
where:
Base-Base interactions energy: -929.476
where: short stacking energy: -384.328
Base-Backbone interact. energy: -2.101
local terms energy: -415.152660
where:
bonds (distance) C4'-P energy: -84.303
bonds (distance) P-C4' energy: -78.870
flat angles C4'-P-C4' energy: -88.254
flat angles P-C4'-P energy: -52.990
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: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1278.482587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.482587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.482587 (E_RNA)
where:
Base-Base interactions energy: -846.448
where: short stacking energy: -390.034
Base-Backbone interact. energy: -0.757
local terms energy: -431.277433
where:
bonds (distance) C4'-P energy: -71.112
bonds (distance) P-C4' energy: -86.159
flat angles C4'-P-C4' energy: -94.484
flat angles P-C4'-P energy: -53.626
tors. eta vs tors. theta energy: -125.896
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: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1277.044450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.044450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.044450 (E_RNA)
where:
Base-Base interactions energy: -867.175
where: short stacking energy: -360.634
Base-Backbone interact. energy: 0.158
local terms energy: -410.027056
where:
bonds (distance) C4'-P energy: -75.348
bonds (distance) P-C4' energy: -78.791
flat angles C4'-P-C4' energy: -81.973
flat angles P-C4'-P energy: -67.244
tors. eta vs tors. theta energy: -106.672
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: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1052.697885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.697885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.697885 (E_RNA)
where:
Base-Base interactions energy: -676.098
where: short stacking energy: -276.904
Base-Backbone interact. energy: -2.705
local terms energy: -373.895475
where:
bonds (distance) C4'-P energy: -81.560
bonds (distance) P-C4' energy: -78.310
flat angles C4'-P-C4' energy: -87.208
flat angles P-C4'-P energy: -57.009
tors. eta vs tors. theta energy: -69.808
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: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1072.617249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.617249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.617249 (E_RNA)
where:
Base-Base interactions energy: -728.252
where: short stacking energy: -286.001
Base-Backbone interact. energy: -1.399
local terms energy: -342.966380
where:
bonds (distance) C4'-P energy: -60.915
bonds (distance) P-C4' energy: -69.402
flat angles C4'-P-C4' energy: -76.530
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -79.310
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -819.631590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.631590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.631590 (E_RNA)
where:
Base-Base interactions energy: -516.376
where: short stacking energy: -247.750
Base-Backbone interact. energy: 0.793
local terms energy: -304.049204
where:
bonds (distance) C4'-P energy: -64.914
bonds (distance) P-C4' energy: -68.237
flat angles C4'-P-C4' energy: -61.131
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: -68.589
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: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -638.779342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.779342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.779342 (E_RNA)
where:
Base-Base interactions energy: -351.787
where: short stacking energy: -185.922
Base-Backbone interact. energy: -0.394
local terms energy: -286.598630
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -74.322
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -39.720
tors. eta vs tors. theta energy: -46.887
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: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -586.402679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.402679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.402679 (E_RNA)
where:
Base-Base interactions energy: -340.330
where: short stacking energy: -155.474
Base-Backbone interact. energy: -2.073
local terms energy: -243.999428
where:
bonds (distance) C4'-P energy: -57.707
bonds (distance) P-C4' energy: -50.766
flat angles C4'-P-C4' energy: -76.097
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -22.099
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: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -352.622299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.622299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.622299 (E_RNA)
where:
Base-Base interactions energy: -132.094
where: short stacking energy: -96.681
Base-Backbone interact. energy: -2.199
local terms energy: -218.328395
where:
bonds (distance) C4'-P energy: -70.949
bonds (distance) P-C4' energy: -63.509
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: 9.026
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: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -309.225451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.225451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.225451 (E_RNA)
where:
Base-Base interactions energy: -103.343
where: short stacking energy: -91.656
Base-Backbone interact. energy: 0.249
local terms energy: -206.131146
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -68.447
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: 3.804
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: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1360.397815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.397815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.397815 (E_RNA)
where:
Base-Base interactions energy: -930.050
where: short stacking energy: -377.450
Base-Backbone interact. energy: -3.019
local terms energy: -427.328522
where:
bonds (distance) C4'-P energy: -71.578
bonds (distance) P-C4' energy: -81.351
flat angles C4'-P-C4' energy: -94.766
flat angles P-C4'-P energy: -62.165
tors. eta vs tors. theta energy: -117.469
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: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1302.288310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.288310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.288310 (E_RNA)
where:
Base-Base interactions energy: -861.908
where: short stacking energy: -394.458
Base-Backbone interact. energy: -0.980
local terms energy: -439.400349
where:
bonds (distance) C4'-P energy: -81.218
bonds (distance) P-C4' energy: -84.361
flat angles C4'-P-C4' energy: -94.354
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -119.567
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: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1296.415702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.415702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.415702 (E_RNA)
where:
Base-Base interactions energy: -880.496
where: short stacking energy: -367.415
Base-Backbone interact. energy: -1.743
local terms energy: -414.176674
where:
bonds (distance) C4'-P energy: -76.640
bonds (distance) P-C4' energy: -80.171
flat angles C4'-P-C4' energy: -85.556
flat angles P-C4'-P energy: -68.716
tors. eta vs tors. theta energy: -103.095
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: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1082.865502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.865502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.865502 (E_RNA)
where:
Base-Base interactions energy: -719.837
where: short stacking energy: -296.796
Base-Backbone interact. energy: -2.625
local terms energy: -360.403229
where:
bonds (distance) C4'-P energy: -78.340
bonds (distance) P-C4' energy: -72.578
flat angles C4'-P-C4' energy: -79.726
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -82.509
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1049.489039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.489039 (E_RNA)
where:
Base-Base interactions energy: -697.862
where: short stacking energy: -303.041
Base-Backbone interact. energy: 2.452
local terms energy: -354.078923
where:
bonds (distance) C4'-P energy: -75.037
bonds (distance) P-C4' energy: -68.242
flat angles C4'-P-C4' energy: -72.719
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -91.406
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: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -825.271253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.271253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.271253 (E_RNA)
where:
Base-Base interactions energy: -536.149
where: short stacking energy: -244.442
Base-Backbone interact. energy: -0.218
local terms energy: -288.903938
where:
bonds (distance) C4'-P energy: -75.081
bonds (distance) P-C4' energy: -69.565
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -40.887
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: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -637.648545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.648545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.648545 (E_RNA)
where:
Base-Base interactions energy: -372.468
where: short stacking energy: -189.557
Base-Backbone interact. energy: -1.422
local terms energy: -263.759389
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -62.283
flat angles C4'-P-C4' energy: -59.955
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -36.360
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: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -628.751470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.751470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.751470 (E_RNA)
where:
Base-Base interactions energy: -360.804
where: short stacking energy: -189.867
Base-Backbone interact. energy: -1.503
local terms energy: -266.444170
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -67.663
flat angles C4'-P-C4' energy: -60.054
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -24.263
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: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -340.130082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.130082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.130082 (E_RNA)
where:
Base-Base interactions energy: -115.388
where: short stacking energy: -99.629
Base-Backbone interact. energy: 1.779
local terms energy: -226.521054
where:
bonds (distance) C4'-P energy: -59.224
bonds (distance) P-C4' energy: -74.760
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -36.604
tors. eta vs tors. theta energy: 1.364
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: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -311.179065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.179065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.179065 (E_RNA)
where:
Base-Base interactions energy: -102.220
where: short stacking energy: -83.753
Base-Backbone interact. energy: -2.120
local terms energy: -206.839055
where:
bonds (distance) C4'-P energy: -69.863
bonds (distance) P-C4' energy: -69.884
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: 18.570
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1360.421111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.421111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.421111 (E_RNA)
where:
Base-Base interactions energy: -954.529
where: short stacking energy: -389.751
Base-Backbone interact. energy: -3.628
local terms energy: -402.264424
where:
bonds (distance) C4'-P energy: -82.291
bonds (distance) P-C4' energy: -68.289
flat angles C4'-P-C4' energy: -82.000
flat angles P-C4'-P energy: -50.722
tors. eta vs tors. theta energy: -118.963
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1276.638732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.638732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.638732 (E_RNA)
where:
Base-Base interactions energy: -846.323
where: short stacking energy: -389.410
Base-Backbone interact. energy: 0.325
local terms energy: -430.640829
where:
bonds (distance) C4'-P energy: -76.066
bonds (distance) P-C4' energy: -76.869
flat angles C4'-P-C4' energy: -88.337
flat angles P-C4'-P energy: -57.347
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: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1274.043107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.043107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.043107 (E_RNA)
where:
Base-Base interactions energy: -859.170
where: short stacking energy: -367.113
Base-Backbone interact. energy: -0.865
local terms energy: -414.008224
where:
bonds (distance) C4'-P energy: -74.937
bonds (distance) P-C4' energy: -82.582
flat angles C4'-P-C4' energy: -88.954
flat angles P-C4'-P energy: -59.330
tors. eta vs tors. theta energy: -108.205
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: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1069.433586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.433586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.433586 (E_RNA)
where:
Base-Base interactions energy: -694.579
where: short stacking energy: -303.780
Base-Backbone interact. energy: -2.367
local terms energy: -372.487645
where:
bonds (distance) C4'-P energy: -83.902
bonds (distance) P-C4' energy: -74.280
flat angles C4'-P-C4' energy: -70.963
flat angles P-C4'-P energy: -50.100
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: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1037.167698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.167698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.167698 (E_RNA)
where:
Base-Base interactions energy: -693.881
where: short stacking energy: -292.616
Base-Backbone interact. energy: -3.111
local terms energy: -340.174771
where:
bonds (distance) C4'-P energy: -63.332
bonds (distance) P-C4' energy: -64.016
flat angles C4'-P-C4' energy: -81.155
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -80.731
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -812.807089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.807089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.807089 (E_RNA)
where:
Base-Base interactions energy: -521.719
where: short stacking energy: -234.633
Base-Backbone interact. energy: -0.621
local terms energy: -290.467053
where:
bonds (distance) C4'-P energy: -61.276
bonds (distance) P-C4' energy: -65.269
flat angles C4'-P-C4' energy: -70.689
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -43.704
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: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -722.767807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.767807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.767807 (E_RNA)
where:
Base-Base interactions energy: -441.753
where: short stacking energy: -228.390
Base-Backbone interact. energy: -2.653
local terms energy: -278.361782
where:
bonds (distance) C4'-P energy: -48.558
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -51.249
tors. eta vs tors. theta energy: -51.127
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: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -604.879629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.879629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.879629 (E_RNA)
where:
Base-Base interactions energy: -325.474
where: short stacking energy: -142.048
Base-Backbone interact. energy: 1.511
local terms energy: -280.916832
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -70.933
flat angles C4'-P-C4' energy: -65.618
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -27.258
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: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -365.995093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.995093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.995093 (E_RNA)
where:
Base-Base interactions energy: -138.826
where: short stacking energy: -91.101
Base-Backbone interact. energy: -1.070
local terms energy: -226.098306
where:
bonds (distance) C4'-P energy: -70.281
bonds (distance) P-C4' energy: -73.023
flat angles C4'-P-C4' energy: -62.916
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: 11.509
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: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -310.987681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.987681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.987681 (E_RNA)
where:
Base-Base interactions energy: -103.978
where: short stacking energy: -74.401
Base-Backbone interact. energy: -3.804
local terms energy: -203.205545
where:
bonds (distance) C4'-P energy: -62.024
bonds (distance) P-C4' energy: -79.979
flat angles C4'-P-C4' energy: -40.020
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: 15.448
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: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1380.520303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.520303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.520303 (E_RNA)
where:
Base-Base interactions energy: -947.684
where: short stacking energy: -373.039
Base-Backbone interact. energy: -0.008
local terms energy: -432.828012
where:
bonds (distance) C4'-P energy: -83.022
bonds (distance) P-C4' energy: -81.758
flat angles C4'-P-C4' energy: -90.447
flat angles P-C4'-P energy: -64.767
tors. eta vs tors. theta energy: -112.834
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: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1266.200624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.200624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.200624 (E_RNA)
where:
Base-Base interactions energy: -820.280
where: short stacking energy: -369.849
Base-Backbone interact. energy: -0.381
local terms energy: -445.539929
where:
bonds (distance) C4'-P energy: -86.096
bonds (distance) P-C4' energy: -77.138
flat angles C4'-P-C4' energy: -101.047
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: -119.097
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1248.895039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.895039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.895039 (E_RNA)
where:
Base-Base interactions energy: -850.093
where: short stacking energy: -365.644
Base-Backbone interact. energy: -1.317
local terms energy: -397.484587
where:
bonds (distance) C4'-P energy: -76.083
bonds (distance) P-C4' energy: -78.014
flat angles C4'-P-C4' energy: -89.614
flat angles P-C4'-P energy: -49.609
tors. eta vs tors. theta energy: -104.165
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1090.811912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.811912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.811912 (E_RNA)
where:
Base-Base interactions energy: -733.576
where: short stacking energy: -302.775
Base-Backbone interact. energy: -1.783
local terms energy: -355.453685
where:
bonds (distance) C4'-P energy: -67.743
bonds (distance) P-C4' energy: -72.598
flat angles C4'-P-C4' energy: -84.956
flat angles P-C4'-P energy: -43.422
tors. eta vs tors. theta energy: -86.735
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: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1046.725429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.725429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.725429 (E_RNA)
where:
Base-Base interactions energy: -694.451
where: short stacking energy: -287.375
Base-Backbone interact. energy: -2.447
local terms energy: -349.827946
where:
bonds (distance) C4'-P energy: -69.267
bonds (distance) P-C4' energy: -64.603
flat angles C4'-P-C4' energy: -81.287
flat angles P-C4'-P energy: -57.687
tors. eta vs tors. theta energy: -76.985
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: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -806.685635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.685635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.685635 (E_RNA)
where:
Base-Base interactions energy: -469.691
where: short stacking energy: -234.812
Base-Backbone interact. energy: -0.207
local terms energy: -336.787256
where:
bonds (distance) C4'-P energy: -80.856
bonds (distance) P-C4' energy: -70.502
flat angles C4'-P-C4' energy: -75.253
flat angles P-C4'-P energy: -46.656
tors. eta vs tors. theta energy: -63.520
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: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -718.474360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.474360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.474360 (E_RNA)
where:
Base-Base interactions energy: -416.017
where: short stacking energy: -215.133
Base-Backbone interact. energy: -0.908
local terms energy: -301.549935
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -68.650
flat angles C4'-P-C4' energy: -75.979
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -46.517
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: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -574.170207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.170207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.170207 (E_RNA)
where:
Base-Base interactions energy: -333.424
where: short stacking energy: -163.969
Base-Backbone interact. energy: -0.979
local terms energy: -239.766989
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -67.279
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -26.518
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -363.645618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.645618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.645618 (E_RNA)
where:
Base-Base interactions energy: -139.738
where: short stacking energy: -97.880
Base-Backbone interact. energy: 2.609
local terms energy: -226.515919
where:
bonds (distance) C4'-P energy: -70.727
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: 0.465
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: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -324.044541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.044541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.044541 (E_RNA)
where:
Base-Base interactions energy: -120.037
where: short stacking energy: -102.044
Base-Backbone interact. energy: 2.652
local terms energy: -206.659455
where:
bonds (distance) C4'-P energy: -66.343
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -38.296
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: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1369.936162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.936162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.936162 (E_RNA)
where:
Base-Base interactions energy: -933.994
where: short stacking energy: -389.030
Base-Backbone interact. energy: -0.126
local terms energy: -435.815612
where:
bonds (distance) C4'-P energy: -85.080
bonds (distance) P-C4' energy: -77.774
flat angles C4'-P-C4' energy: -91.545
flat angles P-C4'-P energy: -62.531
tors. eta vs tors. theta energy: -118.885
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: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1270.977232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.977232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.977232 (E_RNA)
where:
Base-Base interactions energy: -857.083
where: short stacking energy: -376.370
Base-Backbone interact. energy: -0.636
local terms energy: -413.257936
where:
bonds (distance) C4'-P energy: -83.164
bonds (distance) P-C4' energy: -68.394
flat angles C4'-P-C4' energy: -89.742
flat angles P-C4'-P energy: -57.251
tors. eta vs tors. theta energy: -114.708
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: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1243.284821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.284821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.284821 (E_RNA)
where:
Base-Base interactions energy: -822.350
where: short stacking energy: -354.449
Base-Backbone interact. energy: -1.996
local terms energy: -418.939102
where:
bonds (distance) C4'-P energy: -83.509
bonds (distance) P-C4' energy: -89.667
flat angles C4'-P-C4' energy: -78.611
flat angles P-C4'-P energy: -59.764
tors. eta vs tors. theta energy: -107.388
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: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1109.294287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.294287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.294287 (E_RNA)
where:
Base-Base interactions energy: -756.678
where: short stacking energy: -305.642
Base-Backbone interact. energy: -0.170
local terms energy: -352.446250
where:
bonds (distance) C4'-P energy: -76.142
bonds (distance) P-C4' energy: -61.835
flat angles C4'-P-C4' energy: -73.163
flat angles P-C4'-P energy: -58.545
tors. eta vs tors. theta energy: -82.762
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: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -963.607186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.607186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.607186 (E_RNA)
where:
Base-Base interactions energy: -627.544
where: short stacking energy: -277.304
Base-Backbone interact. energy: -3.882
local terms energy: -332.182006
where:
bonds (distance) C4'-P energy: -62.945
bonds (distance) P-C4' energy: -72.877
flat angles C4'-P-C4' energy: -79.790
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -77.396
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: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -897.690099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.690099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.690099 (E_RNA)
where:
Base-Base interactions energy: -578.505
where: short stacking energy: -260.803
Base-Backbone interact. energy: -2.729
local terms energy: -316.456118
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -66.957
flat angles C4'-P-C4' energy: -74.447
flat angles P-C4'-P energy: -44.828
tors. eta vs tors. theta energy: -65.831
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -666.840223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.840223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.840223 (E_RNA)
where:
Base-Base interactions energy: -389.525
where: short stacking energy: -183.024
Base-Backbone interact. energy: -0.216
local terms energy: -277.098847
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -79.404
flat angles C4'-P-C4' energy: -73.414
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -37.189
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -593.403579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.403579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.403579 (E_RNA)
where:
Base-Base interactions energy: -339.721
where: short stacking energy: -165.326
Base-Backbone interact. energy: -1.593
local terms energy: -252.089285
where:
bonds (distance) C4'-P energy: -62.989
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -57.698
flat angles P-C4'-P energy: -44.742
tors. eta vs tors. theta energy: -24.262
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: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -344.051036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.051036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.051036 (E_RNA)
where:
Base-Base interactions energy: -115.906
where: short stacking energy: -90.773
Base-Backbone interact. energy: -0.096
local terms energy: -228.048943
where:
bonds (distance) C4'-P energy: -68.059
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: 3.898
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: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -310.701320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.701320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.701320 (E_RNA)
where:
Base-Base interactions energy: -102.662
where: short stacking energy: -80.455
Base-Backbone interact. energy: -1.818
local terms energy: -206.221709
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -62.746
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: 13.996
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: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1358.991393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.991393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.991393 (E_RNA)
where:
Base-Base interactions energy: -946.508
where: short stacking energy: -372.896
Base-Backbone interact. energy: 1.394
local terms energy: -413.877577
where:
bonds (distance) C4'-P energy: -72.205
bonds (distance) P-C4' energy: -87.683
flat angles C4'-P-C4' energy: -89.828
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: -114.040
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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1259.591349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.591349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.591349 (E_RNA)
where:
Base-Base interactions energy: -846.744
where: short stacking energy: -372.729
Base-Backbone interact. energy: -0.113
local terms energy: -412.734394
where:
bonds (distance) C4'-P energy: -75.234
bonds (distance) P-C4' energy: -78.868
flat angles C4'-P-C4' energy: -89.399
flat angles P-C4'-P energy: -56.124
tors. eta vs tors. theta energy: -113.111
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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1273.634002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.634002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.634002 (E_RNA)
where:
Base-Base interactions energy: -855.034
where: short stacking energy: -361.229
Base-Backbone interact. energy: 0.014
local terms energy: -418.614750
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -84.650
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -51.251
tors. eta vs tors. theta energy: -109.873
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: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1120.364750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.364750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.364750 (E_RNA)
where:
Base-Base interactions energy: -743.069
where: short stacking energy: -315.674
Base-Backbone interact. energy: 0.940
local terms energy: -378.236179
where:
bonds (distance) C4'-P energy: -74.531
bonds (distance) P-C4' energy: -84.028
flat angles C4'-P-C4' energy: -80.554
flat angles P-C4'-P energy: -54.001
tors. eta vs tors. theta energy: -85.123
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: 96
Temperature: 1.100000
Total energy: -1011.539255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.539255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.539255 (E_RNA)
where:
Base-Base interactions energy: -665.332
where: short stacking energy: -282.369
Base-Backbone interact. energy: 1.505
local terms energy: -347.712255
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -75.310
flat angles C4'-P-C4' energy: -69.670
flat angles P-C4'-P energy: -59.497
tors. eta vs tors. theta energy: -70.460
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -875.217133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.217133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.217133 (E_RNA)
where:
Base-Base interactions energy: -546.762
where: short stacking energy: -238.811
Base-Backbone interact. energy: 0.119
local terms energy: -328.574708
where:
bonds (distance) C4'-P energy: -80.974
bonds (distance) P-C4' energy: -71.590
flat angles C4'-P-C4' energy: -68.123
flat angles P-C4'-P energy: -50.683
tors. eta vs tors. theta energy: -57.205
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: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -685.512167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.512167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.512167 (E_RNA)
where:
Base-Base interactions energy: -417.763
where: short stacking energy: -198.285
Base-Backbone interact. energy: 0.588
local terms energy: -268.337484
where:
bonds (distance) C4'-P energy: -69.534
bonds (distance) P-C4' energy: -70.584
flat angles C4'-P-C4' energy: -63.871
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -39.312
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: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -588.648360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.648360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.648360 (E_RNA)
where:
Base-Base interactions energy: -331.092
where: short stacking energy: -185.521
Base-Backbone interact. energy: -1.029
local terms energy: -256.527182
where:
bonds (distance) C4'-P energy: -69.503
bonds (distance) P-C4' energy: -71.223
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -25.168
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: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -323.014313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.014313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.014313 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -103.150
Base-Backbone interact. energy: 1.124
local terms energy: -210.433693
where:
bonds (distance) C4'-P energy: -49.230
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -4.452
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: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -306.191422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.191422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.191422 (E_RNA)
where:
Base-Base interactions energy: -98.804
where: short stacking energy: -85.974
Base-Backbone interact. energy: 1.774
local terms energy: -209.162175
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -75.279
flat angles C4'-P-C4' energy: -50.786
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: 1.734
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: 97
Temperature: 0.900000
Total energy: -1379.012275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.012275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.012275 (E_RNA)
where:
Base-Base interactions energy: -951.831
where: short stacking energy: -389.767
Base-Backbone interact. energy: -2.626
local terms energy: -424.554611
where:
bonds (distance) C4'-P energy: -73.856
bonds (distance) P-C4' energy: -84.883
flat angles C4'-P-C4' energy: -96.232
flat angles P-C4'-P energy: -53.263
tors. eta vs tors. theta energy: -116.322
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: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1265.194106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.194106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.194106 (E_RNA)
where:
Base-Base interactions energy: -850.680
where: short stacking energy: -373.890
Base-Backbone interact. energy: -1.721
local terms energy: -412.792970
where:
bonds (distance) C4'-P energy: -81.959
bonds (distance) P-C4' energy: -74.855
flat angles C4'-P-C4' energy: -90.830
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -107.423
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: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1229.250299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.250299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.250299 (E_RNA)
where:
Base-Base interactions energy: -827.824
where: short stacking energy: -341.878
Base-Backbone interact. energy: 0.276
local terms energy: -401.702519
where:
bonds (distance) C4'-P energy: -75.626
bonds (distance) P-C4' energy: -80.692
flat angles C4'-P-C4' energy: -82.934
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -104.135
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: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1044.903795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.903795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.903795 (E_RNA)
where:
Base-Base interactions energy: -698.180
where: short stacking energy: -312.591
Base-Backbone interact. energy: -0.618
local terms energy: -346.106202
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -70.074
flat angles C4'-P-C4' energy: -86.807
flat angles P-C4'-P energy: -52.769
tors. eta vs tors. theta energy: -82.506
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: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1084.473483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.473483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.473483 (E_RNA)
where:
Base-Base interactions energy: -745.285
where: short stacking energy: -305.286
Base-Backbone interact. energy: 0.568
local terms energy: -339.756073
where:
bonds (distance) C4'-P energy: -57.759
bonds (distance) P-C4' energy: -66.314
flat angles C4'-P-C4' energy: -85.615
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -83.964
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: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -875.783966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.783966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.783966 (E_RNA)
where:
Base-Base interactions energy: -552.295
where: short stacking energy: -242.051
Base-Backbone interact. energy: -1.307
local terms energy: -322.181354
where:
bonds (distance) C4'-P energy: -71.685
bonds (distance) P-C4' energy: -81.063
flat angles C4'-P-C4' energy: -58.979
flat angles P-C4'-P energy: -53.262
tors. eta vs tors. theta energy: -57.193
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: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -744.573176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.573176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.573176 (E_RNA)
where:
Base-Base interactions energy: -457.788
where: short stacking energy: -211.837
Base-Backbone interact. energy: 0.825
local terms energy: -287.610210
where:
bonds (distance) C4'-P energy: -77.902
bonds (distance) P-C4' energy: -64.660
flat angles C4'-P-C4' energy: -70.507
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -45.259
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: 97
Temperature: 1.250000
Total energy: -573.064941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.064941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.064941 (E_RNA)
where:
Base-Base interactions energy: -308.570
where: short stacking energy: -154.710
Base-Backbone interact. energy: 1.883
local terms energy: -266.377581
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -23.392
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: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -352.444116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.444116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.444116 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -108.811
Base-Backbone interact. energy: -0.755
local terms energy: -204.435969
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -77.990
flat angles C4'-P-C4' energy: -44.987
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -2.959
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: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -315.205860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.205860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.205860 (E_RNA)
where:
Base-Base interactions energy: -106.980
where: short stacking energy: -104.072
Base-Backbone interact. energy: 4.096
local terms energy: -212.322070
where:
bonds (distance) C4'-P energy: -64.629
bonds (distance) P-C4' energy: -71.071
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: 4.173
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: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1402.686269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.686269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.686269 (E_RNA)
where:
Base-Base interactions energy: -987.162
where: short stacking energy: -398.581
Base-Backbone interact. energy: -0.171
local terms energy: -415.353935
where:
bonds (distance) C4'-P energy: -69.777
bonds (distance) P-C4' energy: -78.046
flat angles C4'-P-C4' energy: -86.607
flat angles P-C4'-P energy: -59.078
tors. eta vs tors. theta energy: -121.845
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: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1277.279314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.279314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.279314 (E_RNA)
where:
Base-Base interactions energy: -842.507
where: short stacking energy: -383.579
Base-Backbone interact. energy: -0.991
local terms energy: -433.781471
where:
bonds (distance) C4'-P energy: -81.734
bonds (distance) P-C4' energy: -75.019
flat angles C4'-P-C4' energy: -88.340
flat angles P-C4'-P energy: -59.754
tors. eta vs tors. theta energy: -128.935
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: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1261.944444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.944444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.944444 (E_RNA)
where:
Base-Base interactions energy: -869.071
where: short stacking energy: -371.483
Base-Backbone interact. energy: 1.423
local terms energy: -394.295785
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -86.520
flat angles C4'-P-C4' energy: -85.368
flat angles P-C4'-P energy: -53.372
tors. eta vs tors. theta energy: -107.528
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: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1099.470105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.470105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.470105 (E_RNA)
where:
Base-Base interactions energy: -736.621
where: short stacking energy: -299.619
Base-Backbone interact. energy: -1.863
local terms energy: -360.986527
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -78.794
flat angles C4'-P-C4' energy: -84.253
flat angles P-C4'-P energy: -60.235
tors. eta vs tors. theta energy: -76.792
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: 98
Temperature: 1.100000
Total energy: -1063.283439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.283439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.283439 (E_RNA)
where:
Base-Base interactions energy: -711.760
where: short stacking energy: -297.495
Base-Backbone interact. energy: -1.374
local terms energy: -350.149707
where:
bonds (distance) C4'-P energy: -68.121
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -72.309
flat angles P-C4'-P energy: -54.025
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: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -926.118771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.118771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.118771 (E_RNA)
where:
Base-Base interactions energy: -595.698
where: short stacking energy: -263.963
Base-Backbone interact. energy: -1.280
local terms energy: -329.141017
where:
bonds (distance) C4'-P energy: -75.555
bonds (distance) P-C4' energy: -73.986
flat angles C4'-P-C4' energy: -60.925
flat angles P-C4'-P energy: -52.111
tors. eta vs tors. theta energy: -66.564
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: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -758.861366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.861366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.861366 (E_RNA)
where:
Base-Base interactions energy: -442.613
where: short stacking energy: -215.236
Base-Backbone interact. energy: -1.188
local terms energy: -315.060142
where:
bonds (distance) C4'-P energy: -81.119
bonds (distance) P-C4' energy: -67.600
flat angles C4'-P-C4' energy: -74.797
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -52.408
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -459.508497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.508497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.508497 (E_RNA)
where:
Base-Base interactions energy: -227.127
where: short stacking energy: -128.766
Base-Backbone interact. energy: 0.421
local terms energy: -232.802046
where:
bonds (distance) C4'-P energy: -63.888
bonds (distance) P-C4' energy: -75.601
flat angles C4'-P-C4' energy: -60.514
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: -2.573
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: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -333.632693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.632693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.632693 (E_RNA)
where:
Base-Base interactions energy: -100.659
where: short stacking energy: -91.519
Base-Backbone interact. energy: -0.454
local terms energy: -232.519810
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -65.353
flat angles C4'-P-C4' energy: -60.281
flat angles P-C4'-P energy: -53.857
tors. eta vs tors. theta energy: 13.006
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: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -319.822037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.822037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.822037 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -93.937
Base-Backbone interact. energy: 4.372
local terms energy: -203.286527
where:
bonds (distance) C4'-P energy: -65.065
bonds (distance) P-C4' energy: -64.470
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -27.484
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: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1401.784205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.784205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.784205 (E_RNA)
where:
Base-Base interactions energy: -970.165
where: short stacking energy: -389.694
Base-Backbone interact. energy: 0.619
local terms energy: -432.237958
where:
bonds (distance) C4'-P energy: -89.049
bonds (distance) P-C4' energy: -81.592
flat angles C4'-P-C4' energy: -93.466
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -117.698
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: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1275.731844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.731844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.731844 (E_RNA)
where:
Base-Base interactions energy: -857.264
where: short stacking energy: -388.849
Base-Backbone interact. energy: -1.244
local terms energy: -417.224066
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -78.307
flat angles C4'-P-C4' energy: -91.304
flat angles P-C4'-P energy: -60.738
tors. eta vs tors. theta energy: -121.877
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: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1240.026654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.026654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.026654 (E_RNA)
where:
Base-Base interactions energy: -843.837
where: short stacking energy: -367.453
Base-Backbone interact. energy: -0.599
local terms energy: -395.590598
where:
bonds (distance) C4'-P energy: -78.432
bonds (distance) P-C4' energy: -71.745
flat angles C4'-P-C4' energy: -83.734
flat angles P-C4'-P energy: -54.504
tors. eta vs tors. theta energy: -107.176
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: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1096.422372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.422372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.422372 (E_RNA)
where:
Base-Base interactions energy: -720.491
where: short stacking energy: -285.660
Base-Backbone interact. energy: 4.457
local terms energy: -380.388952
where:
bonds (distance) C4'-P energy: -83.708
bonds (distance) P-C4' energy: -89.802
flat angles C4'-P-C4' energy: -88.920
flat angles P-C4'-P energy: -49.712
tors. eta vs tors. theta energy: -68.246
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: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -994.530871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.530871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.530871 (E_RNA)
where:
Base-Base interactions energy: -669.191
where: short stacking energy: -289.599
Base-Backbone interact. energy: -2.919
local terms energy: -322.420320
where:
bonds (distance) C4'-P energy: -73.683
bonds (distance) P-C4' energy: -58.960
flat angles C4'-P-C4' energy: -80.735
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -61.645
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: 99
Temperature: 1.150000
Total energy: -894.595779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.595779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.595779 (E_RNA)
where:
Base-Base interactions energy: -567.030
where: short stacking energy: -254.972
Base-Backbone interact. energy: -1.716
local terms energy: -325.849678
where:
bonds (distance) C4'-P energy: -68.893
bonds (distance) P-C4' energy: -72.752
flat angles C4'-P-C4' energy: -74.462
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -65.209
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: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -828.963606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.963606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.963606 (E_RNA)
where:
Base-Base interactions energy: -528.559
where: short stacking energy: -226.006
Base-Backbone interact. energy: 3.789
local terms energy: -304.193507
where:
bonds (distance) C4'-P energy: -78.021
bonds (distance) P-C4' energy: -71.140
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: -51.367
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: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -527.161983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.161983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.161983 (E_RNA)
where:
Base-Base interactions energy: -274.280
where: short stacking energy: -154.565
Base-Backbone interact. energy: -1.545
local terms energy: -251.336620
where:
bonds (distance) C4'-P energy: -69.375
bonds (distance) P-C4' energy: -55.633
flat angles C4'-P-C4' energy: -67.627
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -19.813
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: 99
Temperature: 1.300000
Total energy: -360.797060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.797060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.797060 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -127.452
Base-Backbone interact. energy: -0.618
local terms energy: -222.360251
where:
bonds (distance) C4'-P energy: -64.931
bonds (distance) P-C4' energy: -66.555
flat angles C4'-P-C4' energy: -54.416
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -4.835
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: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -317.418679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.418679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.418679 (E_RNA)
where:
Base-Base interactions energy: -106.802
where: short stacking energy: -88.773
Base-Backbone interact. energy: 4.702
local terms energy: -215.318514
where:
bonds (distance) C4'-P energy: -67.149
bonds (distance) P-C4' energy: -66.775
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: 9.130
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: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1383.679236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.679236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.679236 (E_RNA)
where:
Base-Base interactions energy: -967.877
where: short stacking energy: -390.155
Base-Backbone interact. energy: -2.088
local terms energy: -413.714443
where:
bonds (distance) C4'-P energy: -76.192
bonds (distance) P-C4' energy: -72.619
flat angles C4'-P-C4' energy: -84.936
flat angles P-C4'-P energy: -63.907
tors. eta vs tors. theta energy: -116.061
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: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1280.304150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.304150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.304150 (E_RNA)
where:
Base-Base interactions energy: -854.873
where: short stacking energy: -383.849
Base-Backbone interact. energy: 2.335
local terms energy: -427.765760
where:
bonds (distance) C4'-P energy: -86.311
bonds (distance) P-C4' energy: -74.120
flat angles C4'-P-C4' energy: -87.573
flat angles P-C4'-P energy: -63.137
tors. eta vs tors. theta energy: -116.625
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1254.856437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.856437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.856437 (E_RNA)
where:
Base-Base interactions energy: -832.158
where: short stacking energy: -353.830
Base-Backbone interact. energy: -2.952
local terms energy: -419.745837
where:
bonds (distance) C4'-P energy: -78.957
bonds (distance) P-C4' energy: -79.620
flat angles C4'-P-C4' energy: -92.684
flat angles P-C4'-P energy: -58.675
tors. eta vs tors. theta energy: -109.810
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1066.653921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.653921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.653921 (E_RNA)
where:
Base-Base interactions energy: -707.901
where: short stacking energy: -304.371
Base-Backbone interact. energy: -0.535
local terms energy: -358.217036
where:
bonds (distance) C4'-P energy: -73.784
bonds (distance) P-C4' energy: -71.521
flat angles C4'-P-C4' energy: -74.641
flat angles P-C4'-P energy: -60.643
tors. eta vs tors. theta energy: -77.628
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: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1072.628967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.628967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.628967 (E_RNA)
where:
Base-Base interactions energy: -734.377
where: short stacking energy: -322.648
Base-Backbone interact. energy: 0.542
local terms energy: -338.794250
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -76.471
flat angles C4'-P-C4' energy: -82.627
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -80.497
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: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -890.173172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.173172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.173172 (E_RNA)
where:
Base-Base interactions energy: -552.029
where: short stacking energy: -243.675
Base-Backbone interact. energy: -1.006
local terms energy: -337.138863
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -72.870
flat angles C4'-P-C4' energy: -71.149
flat angles P-C4'-P energy: -55.543
tors. eta vs tors. theta energy: -68.900
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: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -820.944800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.944800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.944800 (E_RNA)
where:
Base-Base interactions energy: -511.386
where: short stacking energy: -229.993
Base-Backbone interact. energy: -1.003
local terms energy: -308.555640
where:
bonds (distance) C4'-P energy: -73.046
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -77.387
flat angles P-C4'-P energy: -30.414
tors. eta vs tors. theta energy: -68.827
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -474.805608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.805608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.805608 (E_RNA)
where:
Base-Base interactions energy: -221.726
where: short stacking energy: -142.917
Base-Backbone interact. energy: 4.382
local terms energy: -257.461647
where:
bonds (distance) C4'-P energy: -70.443
bonds (distance) P-C4' energy: -74.579
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -16.489
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: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -333.666884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.666884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.666884 (E_RNA)
where:
Base-Base interactions energy: -129.206
where: short stacking energy: -107.212
Base-Backbone interact. energy: 1.362
local terms energy: -205.822417
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -79.423
flat angles C4'-P-C4' energy: -52.231
flat angles P-C4'-P energy: -41.969
tors. eta vs tors. theta energy: 21.022
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: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -328.055727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.055727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.055727 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -72.439
Base-Backbone interact. energy: 2.235
local terms energy: -206.777643
where:
bonds (distance) C4'-P energy: -53.013
bonds (distance) P-C4' energy: -63.181
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: 16.365
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1393.402815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.402815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.402815 (E_RNA)
where:
Base-Base interactions energy: -985.899
where: short stacking energy: -404.513
Base-Backbone interact. energy: 2.883
local terms energy: -410.386256
where:
bonds (distance) C4'-P energy: -73.380
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -83.627
flat angles P-C4'-P energy: -57.362
tors. eta vs tors. theta energy: -123.865
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: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1287.286321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.286321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.286321 (E_RNA)
where:
Base-Base interactions energy: -850.107
where: short stacking energy: -393.494
Base-Backbone interact. energy: -0.879
local terms energy: -436.300655
where:
bonds (distance) C4'-P energy: -83.051
bonds (distance) P-C4' energy: -79.141
flat angles C4'-P-C4' energy: -80.024
flat angles P-C4'-P energy: -62.639
tors. eta vs tors. theta energy: -131.445
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: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1264.442633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.442633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.442633 (E_RNA)
where:
Base-Base interactions energy: -860.871
where: short stacking energy: -344.058
Base-Backbone interact. energy: -1.336
local terms energy: -402.235325
where:
bonds (distance) C4'-P energy: -73.561
bonds (distance) P-C4' energy: -71.994
flat angles C4'-P-C4' energy: -86.621
flat angles P-C4'-P energy: -63.800
tors. eta vs tors. theta energy: -106.258
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: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1042.139212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.139212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.139212 (E_RNA)
where:
Base-Base interactions energy: -678.033
where: short stacking energy: -294.291
Base-Backbone interact. energy: -0.150
local terms energy: -363.956334
where:
bonds (distance) C4'-P energy: -78.509
bonds (distance) P-C4' energy: -82.653
flat angles C4'-P-C4' energy: -68.592
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -89.010
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: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1066.297190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.297190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.297190 (E_RNA)
where:
Base-Base interactions energy: -716.725
where: short stacking energy: -315.673
Base-Backbone interact. energy: -2.827
local terms energy: -346.745467
where:
bonds (distance) C4'-P energy: -62.008
bonds (distance) P-C4' energy: -67.500
flat angles C4'-P-C4' energy: -86.329
flat angles P-C4'-P energy: -48.490
tors. eta vs tors. theta energy: -82.417
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: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -938.823094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.823094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.823094 (E_RNA)
where:
Base-Base interactions energy: -598.605
where: short stacking energy: -279.752
Base-Backbone interact. energy: -1.543
local terms energy: -338.674378
where:
bonds (distance) C4'-P energy: -66.148
bonds (distance) P-C4' energy: -70.670
flat angles C4'-P-C4' energy: -65.405
flat angles P-C4'-P energy: -58.354
tors. eta vs tors. theta energy: -78.097
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: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -831.021627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.021627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.021627 (E_RNA)
where:
Base-Base interactions energy: -524.338
where: short stacking energy: -234.530
Base-Backbone interact. energy: 3.006
local terms energy: -309.689604
where:
bonds (distance) C4'-P energy: -60.011
bonds (distance) P-C4' energy: -69.025
flat angles C4'-P-C4' energy: -68.830
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -58.385
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: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -424.855576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.855576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.855576 (E_RNA)
where:
Base-Base interactions energy: -191.335
where: short stacking energy: -138.705
Base-Backbone interact. energy: 0.261
local terms energy: -233.781190
where:
bonds (distance) C4'-P energy: -51.661
bonds (distance) P-C4' energy: -77.576
flat angles C4'-P-C4' energy: -53.879
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -18.012
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: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -421.294305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.294305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.294305 (E_RNA)
where:
Base-Base interactions energy: -208.911
where: short stacking energy: -142.104
Base-Backbone interact. energy: 0.146
local terms energy: -212.529708
where:
bonds (distance) C4'-P energy: -59.483
bonds (distance) P-C4' energy: -53.139
flat angles C4'-P-C4' energy: -63.045
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -7.780
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: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -339.602660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.602660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.602660 (E_RNA)
where:
Base-Base interactions energy: -97.001
where: short stacking energy: -92.600
Base-Backbone interact. energy: 4.728
local terms energy: -247.329098
where:
bonds (distance) C4'-P energy: -69.053
bonds (distance) P-C4' energy: -76.461
flat angles C4'-P-C4' energy: -57.152
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -0.831
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: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1396.868034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.868034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.868034 (E_RNA)
where:
Base-Base interactions energy: -972.267
where: short stacking energy: -408.664
Base-Backbone interact. energy: -1.872
local terms energy: -422.728884
where:
bonds (distance) C4'-P energy: -76.795
bonds (distance) P-C4' energy: -80.574
flat angles C4'-P-C4' energy: -89.170
flat angles P-C4'-P energy: -55.754
tors. eta vs tors. theta energy: -120.437
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: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1294.090089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.090089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.090089 (E_RNA)
where:
Base-Base interactions energy: -868.122
where: short stacking energy: -392.654
Base-Backbone interact. energy: -0.309
local terms energy: -425.658724
where:
bonds (distance) C4'-P energy: -78.543
bonds (distance) P-C4' energy: -81.028
flat angles C4'-P-C4' energy: -85.756
flat angles P-C4'-P energy: -57.433
tors. eta vs tors. theta energy: -122.898
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: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1241.231964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.231964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.231964 (E_RNA)
where:
Base-Base interactions energy: -852.166
where: short stacking energy: -350.259
Base-Backbone interact. energy: -2.833
local terms energy: -386.233356
where:
bonds (distance) C4'-P energy: -75.963
bonds (distance) P-C4' energy: -74.774
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -58.504
tors. eta vs tors. theta energy: -101.593
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1057.268968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.268968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.268968 (E_RNA)
where:
Base-Base interactions energy: -694.034
where: short stacking energy: -279.621
Base-Backbone interact. energy: -1.265
local terms energy: -361.969438
where:
bonds (distance) C4'-P energy: -76.789
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -81.152
flat angles P-C4'-P energy: -56.337
tors. eta vs tors. theta energy: -75.499
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1030.691149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.691149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.691149 (E_RNA)
where:
Base-Base interactions energy: -703.699
where: short stacking energy: -279.984
Base-Backbone interact. energy: -2.148
local terms energy: -324.843682
where:
bonds (distance) C4'-P energy: -65.922
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -74.941
flat angles P-C4'-P energy: -48.281
tors. eta vs tors. theta energy: -81.959
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: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -865.721995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.721995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.721995 (E_RNA)
where:
Base-Base interactions energy: -580.435
where: short stacking energy: -254.792
Base-Backbone interact. energy: 1.310
local terms energy: -286.597118
where:
bonds (distance) C4'-P energy: -60.872
bonds (distance) P-C4' energy: -63.706
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -49.634
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: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -791.155803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.155803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.155803 (E_RNA)
where:
Base-Base interactions energy: -476.281
where: short stacking energy: -224.753
Base-Backbone interact. energy: -0.176
local terms energy: -314.699617
where:
bonds (distance) C4'-P energy: -72.755
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -63.624
flat angles P-C4'-P energy: -47.342
tors. eta vs tors. theta energy: -67.541
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: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -450.799436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.799436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.799436 (E_RNA)
where:
Base-Base interactions energy: -236.725
where: short stacking energy: -155.228
Base-Backbone interact. energy: 2.178
local terms energy: -216.252513
where:
bonds (distance) C4'-P energy: -54.583
bonds (distance) P-C4' energy: -66.222
flat angles C4'-P-C4' energy: -53.247
flat angles P-C4'-P energy: -30.723
tors. eta vs tors. theta energy: -11.477
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: 102
Temperature: 1.300000
Total energy: -434.906341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.906341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.906341 (E_RNA)
where:
Base-Base interactions energy: -188.682
where: short stacking energy: -137.642
Base-Backbone interact. energy: -0.516
local terms energy: -245.708444
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -78.644
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: -16.136
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: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -335.626965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.626965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.626965 (E_RNA)
where:
Base-Base interactions energy: -118.506
where: short stacking energy: -96.319
Base-Backbone interact. energy: 0.282
local terms energy: -217.403180
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -65.124
flat angles C4'-P-C4' energy: -58.639
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: 0.050
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: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1389.895155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.895155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.895155 (E_RNA)
where:
Base-Base interactions energy: -971.251
where: short stacking energy: -387.921
Base-Backbone interact. energy: -1.897
local terms energy: -416.747949
where:
bonds (distance) C4'-P energy: -64.683
bonds (distance) P-C4' energy: -79.774
flat angles C4'-P-C4' energy: -91.135
flat angles P-C4'-P energy: -60.157
tors. eta vs tors. theta energy: -120.999
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: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1300.744324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.744324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.744324 (E_RNA)
where:
Base-Base interactions energy: -877.431
where: short stacking energy: -406.463
Base-Backbone interact. energy: -0.577
local terms energy: -422.735907
where:
bonds (distance) C4'-P energy: -61.792
bonds (distance) P-C4' energy: -77.470
flat angles C4'-P-C4' energy: -90.643
flat angles P-C4'-P energy: -66.791
tors. eta vs tors. theta energy: -126.039
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: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1256.413954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.413954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.413954 (E_RNA)
where:
Base-Base interactions energy: -854.652
where: short stacking energy: -365.912
Base-Backbone interact. energy: -1.799
local terms energy: -399.962992
where:
bonds (distance) C4'-P energy: -71.623
bonds (distance) P-C4' energy: -66.923
flat angles C4'-P-C4' energy: -84.131
flat angles P-C4'-P energy: -65.264
tors. eta vs tors. theta energy: -112.021
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: 103
Temperature: 1.050000
Total energy: -1120.623626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.623626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.623626 (E_RNA)
where:
Base-Base interactions energy: -754.210
where: short stacking energy: -338.296
Base-Backbone interact. energy: 0.527
local terms energy: -366.940238
where:
bonds (distance) C4'-P energy: -67.661
bonds (distance) P-C4' energy: -68.778
flat angles C4'-P-C4' energy: -83.928
flat angles P-C4'-P energy: -55.894
tors. eta vs tors. theta energy: -90.679
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1086.536586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.536586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.536586 (E_RNA)
where:
Base-Base interactions energy: -734.123
where: short stacking energy: -286.206
Base-Backbone interact. energy: -4.216
local terms energy: -348.198353
where:
bonds (distance) C4'-P energy: -77.642
bonds (distance) P-C4' energy: -69.547
flat angles C4'-P-C4' energy: -79.215
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -80.626
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -866.860575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.860575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.860575 (E_RNA)
where:
Base-Base interactions energy: -545.450
where: short stacking energy: -227.491
Base-Backbone interact. energy: 0.813
local terms energy: -322.223934
where:
bonds (distance) C4'-P energy: -69.865
bonds (distance) P-C4' energy: -78.254
flat angles C4'-P-C4' energy: -59.299
flat angles P-C4'-P energy: -59.268
tors. eta vs tors. theta energy: -55.538
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: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -767.502374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.502374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.502374 (E_RNA)
where:
Base-Base interactions energy: -471.677
where: short stacking energy: -243.318
Base-Backbone interact. energy: -0.349
local terms energy: -295.476468
where:
bonds (distance) C4'-P energy: -59.173
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -55.681
tors. eta vs tors. theta energy: -56.757
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -441.158986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.158986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.158986 (E_RNA)
where:
Base-Base interactions energy: -195.233
where: short stacking energy: -137.044
Base-Backbone interact. energy: -0.792
local terms energy: -245.134016
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -77.661
flat angles C4'-P-C4' energy: -46.036
flat angles P-C4'-P energy: -41.725
tors. eta vs tors. theta energy: -16.670
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -393.713042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.713042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.713042 (E_RNA)
where:
Base-Base interactions energy: -167.266
where: short stacking energy: -109.303
Base-Backbone interact. energy: -0.669
local terms energy: -225.778293
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -68.367
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -35.183
tors. eta vs tors. theta energy: -8.858
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: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -306.425041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.425041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.425041 (E_RNA)
where:
Base-Base interactions energy: -103.646
where: short stacking energy: -87.702
Base-Backbone interact. energy: -0.508
local terms energy: -202.271177
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -51.831
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: 5.069
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: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1390.180715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.180715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.180715 (E_RNA)
where:
Base-Base interactions energy: -955.194
where: short stacking energy: -400.626
Base-Backbone interact. energy: -1.774
local terms energy: -433.212178
where:
bonds (distance) C4'-P energy: -81.414
bonds (distance) P-C4' energy: -82.999
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -57.395
tors. eta vs tors. theta energy: -119.972
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: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1290.450096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.450096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.450096 (E_RNA)
where:
Base-Base interactions energy: -860.045
where: short stacking energy: -396.591
Base-Backbone interact. energy: 1.753
local terms energy: -432.158134
where:
bonds (distance) C4'-P energy: -82.623
bonds (distance) P-C4' energy: -82.653
flat angles C4'-P-C4' energy: -93.123
flat angles P-C4'-P energy: -57.740
tors. eta vs tors. theta energy: -116.020
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: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1263.558417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.558417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.558417 (E_RNA)
where:
Base-Base interactions energy: -860.438
where: short stacking energy: -364.029
Base-Backbone interact. energy: -0.475
local terms energy: -402.646201
where:
bonds (distance) C4'-P energy: -70.287
bonds (distance) P-C4' energy: -83.204
flat angles C4'-P-C4' energy: -82.122
flat angles P-C4'-P energy: -57.763
tors. eta vs tors. theta energy: -109.270
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: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1140.583726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.583726 (E_RNA)
where:
Base-Base interactions energy: -791.472
where: short stacking energy: -327.086
Base-Backbone interact. energy: 0.277
local terms energy: -349.389518
where:
bonds (distance) C4'-P energy: -68.342
bonds (distance) P-C4' energy: -67.605
flat angles C4'-P-C4' energy: -81.014
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -88.274
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: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1138.198536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.198536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.198536 (E_RNA)
where:
Base-Base interactions energy: -770.875
where: short stacking energy: -303.884
Base-Backbone interact. energy: -1.106
local terms energy: -366.217857
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -77.121
flat angles C4'-P-C4' energy: -81.646
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: -89.932
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: 104
Temperature: 1.150000
Total energy: -852.379150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.379150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.379150 (E_RNA)
where:
Base-Base interactions energy: -531.847
where: short stacking energy: -216.935
Base-Backbone interact. energy: -0.992
local terms energy: -319.540447
where:
bonds (distance) C4'-P energy: -72.115
bonds (distance) P-C4' energy: -71.783
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -55.391
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: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -757.423006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.423006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.423006 (E_RNA)
where:
Base-Base interactions energy: -444.703
where: short stacking energy: -204.477
Base-Backbone interact. energy: -0.126
local terms energy: -312.594072
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -74.269
flat angles C4'-P-C4' energy: -82.024
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -56.861
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -416.877054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.877054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.877054 (E_RNA)
where:
Base-Base interactions energy: -156.807
where: short stacking energy: -101.028
Base-Backbone interact. energy: -2.566
local terms energy: -257.504983
where:
bonds (distance) C4'-P energy: -69.460
bonds (distance) P-C4' energy: -74.394
flat angles C4'-P-C4' energy: -73.239
flat angles P-C4'-P energy: -47.025
tors. eta vs tors. theta energy: 6.614
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: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -451.659077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.659077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.659077 (E_RNA)
where:
Base-Base interactions energy: -205.385
where: short stacking energy: -134.283
Base-Backbone interact. energy: -2.661
local terms energy: -243.613312
where:
bonds (distance) C4'-P energy: -66.080
bonds (distance) P-C4' energy: -69.350
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -12.566
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: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -315.788182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.788182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.788182 (E_RNA)
where:
Base-Base interactions energy: -118.342
where: short stacking energy: -80.015
Base-Backbone interact. energy: -0.899
local terms energy: -196.547692
where:
bonds (distance) C4'-P energy: -64.330
bonds (distance) P-C4' energy: -60.191
flat angles C4'-P-C4' energy: -59.165
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: 13.961
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: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1386.750415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.750415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.750415 (E_RNA)
where:
Base-Base interactions energy: -962.580
where: short stacking energy: -389.727
Base-Backbone interact. energy: -2.161
local terms energy: -422.009409
where:
bonds (distance) C4'-P energy: -78.094
bonds (distance) P-C4' energy: -72.925
flat angles C4'-P-C4' energy: -87.134
flat angles P-C4'-P energy: -65.864
tors. eta vs tors. theta energy: -117.993
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: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1291.541767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.541767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.541767 (E_RNA)
where:
Base-Base interactions energy: -848.762
where: short stacking energy: -381.033
Base-Backbone interact. energy: 1.627
local terms energy: -444.406306
where:
bonds (distance) C4'-P energy: -80.043
bonds (distance) P-C4' energy: -84.918
flat angles C4'-P-C4' energy: -95.270
flat angles P-C4'-P energy: -63.683
tors. eta vs tors. theta energy: -120.492
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: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1263.005257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.005257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.005257 (E_RNA)
where:
Base-Base interactions energy: -846.193
where: short stacking energy: -352.795
Base-Backbone interact. energy: -2.830
local terms energy: -413.983232
where:
bonds (distance) C4'-P energy: -69.865
bonds (distance) P-C4' energy: -78.996
flat angles C4'-P-C4' energy: -89.113
flat angles P-C4'-P energy: -60.932
tors. eta vs tors. theta energy: -115.078
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1153.472040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.472040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.472040 (E_RNA)
where:
Base-Base interactions energy: -774.612
where: short stacking energy: -311.221
Base-Backbone interact. energy: -2.271
local terms energy: -376.589653
where:
bonds (distance) C4'-P energy: -80.451
bonds (distance) P-C4' energy: -70.044
flat angles C4'-P-C4' energy: -74.124
flat angles P-C4'-P energy: -58.626
tors. eta vs tors. theta energy: -93.344
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: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1077.555161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.555161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.555161 (E_RNA)
where:
Base-Base interactions energy: -695.661
where: short stacking energy: -304.231
Base-Backbone interact. energy: 0.486
local terms energy: -382.380345
where:
bonds (distance) C4'-P energy: -75.366
bonds (distance) P-C4' energy: -82.807
flat angles C4'-P-C4' energy: -77.748
flat angles P-C4'-P energy: -56.521
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: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -795.412775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.412775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.412775 (E_RNA)
where:
Base-Base interactions energy: -494.884
where: short stacking energy: -226.652
Base-Backbone interact. energy: 0.586
local terms energy: -301.115502
where:
bonds (distance) C4'-P energy: -70.439
bonds (distance) P-C4' energy: -68.607
flat angles C4'-P-C4' energy: -55.928
flat angles P-C4'-P energy: -56.357
tors. eta vs tors. theta energy: -49.784
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: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -845.681626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.681626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.681626 (E_RNA)
where:
Base-Base interactions energy: -544.507
where: short stacking energy: -235.863
Base-Backbone interact. energy: 3.258
local terms energy: -304.432044
where:
bonds (distance) C4'-P energy: -77.180
bonds (distance) P-C4' energy: -68.403
flat angles C4'-P-C4' energy: -67.469
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -52.993
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: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -492.948643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.948643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.948643 (E_RNA)
where:
Base-Base interactions energy: -241.075
where: short stacking energy: -135.045
Base-Backbone interact. energy: -0.864
local terms energy: -251.009104
where:
bonds (distance) C4'-P energy: -70.274
bonds (distance) P-C4' energy: -72.956
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: -6.566
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: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -413.080889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.080889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.080889 (E_RNA)
where:
Base-Base interactions energy: -166.018
where: short stacking energy: -126.236
Base-Backbone interact. energy: 6.860
local terms energy: -253.922845
where:
bonds (distance) C4'-P energy: -78.096
bonds (distance) P-C4' energy: -80.469
flat angles C4'-P-C4' energy: -49.269
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -4.806
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: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -326.790568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.790568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.790568 (E_RNA)
where:
Base-Base interactions energy: -100.030
where: short stacking energy: -79.661
Base-Backbone interact. energy: 1.268
local terms energy: -228.028769
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -70.513
flat angles C4'-P-C4' energy: -50.442
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: 6.214
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: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1397.648093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.648093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.648093 (E_RNA)
where:
Base-Base interactions energy: -963.905
where: short stacking energy: -395.396
Base-Backbone interact. energy: -0.191
local terms energy: -433.551676
where:
bonds (distance) C4'-P energy: -81.317
bonds (distance) P-C4' energy: -84.575
flat angles C4'-P-C4' energy: -89.606
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -120.678
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: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1287.551503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.551503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.551503 (E_RNA)
where:
Base-Base interactions energy: -851.139
where: short stacking energy: -394.710
Base-Backbone interact. energy: -1.007
local terms energy: -435.404915
where:
bonds (distance) C4'-P energy: -71.692
bonds (distance) P-C4' energy: -81.880
flat angles C4'-P-C4' energy: -97.103
flat angles P-C4'-P energy: -56.447
tors. eta vs tors. theta energy: -128.284
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: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1270.353893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.353893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.353893 (E_RNA)
where:
Base-Base interactions energy: -856.435
where: short stacking energy: -334.741
Base-Backbone interact. energy: -4.036
local terms energy: -409.883395
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -70.308
flat angles C4'-P-C4' energy: -86.971
flat angles P-C4'-P energy: -68.778
tors. eta vs tors. theta energy: -110.238
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: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1159.881337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.881337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.881337 (E_RNA)
where:
Base-Base interactions energy: -799.180
where: short stacking energy: -338.049
Base-Backbone interact. energy: -2.201
local terms energy: -358.500525
where:
bonds (distance) C4'-P energy: -79.623
bonds (distance) P-C4' energy: -62.121
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -46.908
tors. eta vs tors. theta energy: -91.140
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: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1036.575013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.575013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.575013 (E_RNA)
where:
Base-Base interactions energy: -683.600
where: short stacking energy: -285.351
Base-Backbone interact. energy: -2.343
local terms energy: -350.632081
where:
bonds (distance) C4'-P energy: -67.549
bonds (distance) P-C4' energy: -72.443
flat angles C4'-P-C4' energy: -80.615
flat angles P-C4'-P energy: -54.485
tors. eta vs tors. theta energy: -75.540
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: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -798.642120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.642120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.642120 (E_RNA)
where:
Base-Base interactions energy: -482.300
where: short stacking energy: -222.119
Base-Backbone interact. energy: 2.739
local terms energy: -319.081201
where:
bonds (distance) C4'-P energy: -53.752
bonds (distance) P-C4' energy: -78.243
flat angles C4'-P-C4' energy: -83.167
flat angles P-C4'-P energy: -51.707
tors. eta vs tors. theta energy: -52.213
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: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -848.581574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.581574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.581574 (E_RNA)
where:
Base-Base interactions energy: -530.676
where: short stacking energy: -229.508
Base-Backbone interact. energy: -0.917
local terms energy: -316.988262
where:
bonds (distance) C4'-P energy: -73.925
bonds (distance) P-C4' energy: -73.816
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -56.307
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: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -485.861217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.861217 (E_RNA)
where:
Base-Base interactions energy: -263.158
where: short stacking energy: -130.330
Base-Backbone interact. energy: -1.532
local terms energy: -221.170721
where:
bonds (distance) C4'-P energy: -62.302
bonds (distance) P-C4' energy: -67.563
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -7.223
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -378.555207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.555207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.555207 (E_RNA)
where:
Base-Base interactions energy: -157.229
where: short stacking energy: -109.807
Base-Backbone interact. energy: 1.718
local terms energy: -223.044942
where:
bonds (distance) C4'-P energy: -67.341
bonds (distance) P-C4' energy: -71.039
flat angles C4'-P-C4' energy: -46.512
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: 0.933
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: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -313.047781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.047781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.047781 (E_RNA)
where:
Base-Base interactions energy: -73.641
where: short stacking energy: -63.631
Base-Backbone interact. energy: 0.363
local terms energy: -239.769712
where:
bonds (distance) C4'-P energy: -74.122
bonds (distance) P-C4' energy: -74.364
flat angles C4'-P-C4' energy: -67.492
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: 13.134
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: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1410.942571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.942571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.942571 (E_RNA)
where:
Base-Base interactions energy: -988.639
where: short stacking energy: -390.822
Base-Backbone interact. energy: 4.085
local terms energy: -426.388396
where:
bonds (distance) C4'-P energy: -78.507
bonds (distance) P-C4' energy: -76.241
flat angles C4'-P-C4' energy: -94.003
flat angles P-C4'-P energy: -55.165
tors. eta vs tors. theta energy: -122.472
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: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1302.943610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.943610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.943610 (E_RNA)
where:
Base-Base interactions energy: -882.152
where: short stacking energy: -379.324
Base-Backbone interact. energy: -2.849
local terms energy: -417.942374
where:
bonds (distance) C4'-P energy: -81.420
bonds (distance) P-C4' energy: -77.143
flat angles C4'-P-C4' energy: -94.190
flat angles P-C4'-P energy: -54.642
tors. eta vs tors. theta energy: -110.548
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: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1248.899602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.899602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.899602 (E_RNA)
where:
Base-Base interactions energy: -835.148
where: short stacking energy: -381.939
Base-Backbone interact. energy: 0.038
local terms energy: -413.790065
where:
bonds (distance) C4'-P energy: -79.710
bonds (distance) P-C4' energy: -78.260
flat angles C4'-P-C4' energy: -82.959
flat angles P-C4'-P energy: -48.407
tors. eta vs tors. theta energy: -124.455
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: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1178.865498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.865498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.865498 (E_RNA)
where:
Base-Base interactions energy: -817.321
where: short stacking energy: -341.777
Base-Backbone interact. energy: 3.240
local terms energy: -364.784397
where:
bonds (distance) C4'-P energy: -65.825
bonds (distance) P-C4' energy: -79.513
flat angles C4'-P-C4' energy: -80.406
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -91.198
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: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1091.571151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.571151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.571151 (E_RNA)
where:
Base-Base interactions energy: -734.173
where: short stacking energy: -311.545
Base-Backbone interact. energy: 1.908
local terms energy: -359.306025
where:
bonds (distance) C4'-P energy: -69.302
bonds (distance) P-C4' energy: -72.560
flat angles C4'-P-C4' energy: -85.640
flat angles P-C4'-P energy: -47.176
tors. eta vs tors. theta energy: -84.628
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: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -876.977360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.977360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.977360 (E_RNA)
where:
Base-Base interactions energy: -579.884
where: short stacking energy: -242.443
Base-Backbone interact. energy: 2.880
local terms energy: -299.974014
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -59.988
flat angles C4'-P-C4' energy: -72.684
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: -58.328
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: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -795.060286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.060286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.060286 (E_RNA)
where:
Base-Base interactions energy: -494.835
where: short stacking energy: -225.853
Base-Backbone interact. energy: -2.126
local terms energy: -298.099005
where:
bonds (distance) C4'-P energy: -67.700
bonds (distance) P-C4' energy: -61.469
flat angles C4'-P-C4' energy: -72.965
flat angles P-C4'-P energy: -47.116
tors. eta vs tors. theta energy: -48.849
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: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -465.634736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.634736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.634736 (E_RNA)
where:
Base-Base interactions energy: -224.779
where: short stacking energy: -123.256
Base-Backbone interact. energy: -0.177
local terms energy: -240.678258
where:
bonds (distance) C4'-P energy: -68.679
bonds (distance) P-C4' energy: -61.868
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -26.961
tors. eta vs tors. theta energy: -15.229
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: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -444.169387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.169387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.169387 (E_RNA)
where:
Base-Base interactions energy: -217.909
where: short stacking energy: -128.826
Base-Backbone interact. energy: -1.720
local terms energy: -224.540195
where:
bonds (distance) C4'-P energy: -64.699
bonds (distance) P-C4' energy: -67.595
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -30.079
tors. eta vs tors. theta energy: -1.997
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: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -344.756504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.756504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.756504 (E_RNA)
where:
Base-Base interactions energy: -135.326
where: short stacking energy: -101.141
Base-Backbone interact. energy: -1.541
local terms energy: -207.889656
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -66.598
flat angles C4'-P-C4' energy: -46.683
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: 13.418
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: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1382.999818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.999818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.999818 (E_RNA)
where:
Base-Base interactions energy: -945.464
where: short stacking energy: -391.813
Base-Backbone interact. energy: 1.910
local terms energy: -439.445453
where:
bonds (distance) C4'-P energy: -80.914
bonds (distance) P-C4' energy: -82.504
flat angles C4'-P-C4' energy: -93.778
flat angles P-C4'-P energy: -67.749
tors. eta vs tors. theta energy: -114.499
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: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1310.899496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.899496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.899496 (E_RNA)
where:
Base-Base interactions energy: -905.882
where: short stacking energy: -387.232
Base-Backbone interact. energy: -1.434
local terms energy: -403.583283
where:
bonds (distance) C4'-P energy: -67.166
bonds (distance) P-C4' energy: -81.386
flat angles C4'-P-C4' energy: -83.749
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -120.545
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1265.071886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.071886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.071886 (E_RNA)
where:
Base-Base interactions energy: -841.024
where: short stacking energy: -404.026
Base-Backbone interact. energy: 5.780
local terms energy: -429.827401
where:
bonds (distance) C4'-P energy: -81.871
bonds (distance) P-C4' energy: -75.993
flat angles C4'-P-C4' energy: -94.751
flat angles P-C4'-P energy: -57.137
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: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1184.861745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.861745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.861745 (E_RNA)
where:
Base-Base interactions energy: -819.349
where: short stacking energy: -332.767
Base-Backbone interact. energy: -0.919
local terms energy: -364.593661
where:
bonds (distance) C4'-P energy: -66.619
bonds (distance) P-C4' energy: -71.358
flat angles C4'-P-C4' energy: -85.663
flat angles P-C4'-P energy: -56.700
tors. eta vs tors. theta energy: -84.254
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: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1078.056987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.056987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.056987 (E_RNA)
where:
Base-Base interactions energy: -735.686
where: short stacking energy: -305.153
Base-Backbone interact. energy: -2.577
local terms energy: -339.794183
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -76.468
flat angles C4'-P-C4' energy: -77.860
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -84.306
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: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -885.774257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.774257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.774257 (E_RNA)
where:
Base-Base interactions energy: -588.758
where: short stacking energy: -238.037
Base-Backbone interact. energy: -2.001
local terms energy: -295.015625
where:
bonds (distance) C4'-P energy: -67.749
bonds (distance) P-C4' energy: -67.264
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -45.259
tors. eta vs tors. theta energy: -50.607
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: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -780.479089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.479089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.479089 (E_RNA)
where:
Base-Base interactions energy: -488.526
where: short stacking energy: -236.679
Base-Backbone interact. energy: -0.337
local terms energy: -291.615736
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -64.715
flat angles C4'-P-C4' energy: -70.301
flat angles P-C4'-P energy: -44.913
tors. eta vs tors. theta energy: -69.865
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: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -449.037123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.037123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.037123 (E_RNA)
where:
Base-Base interactions energy: -188.931
where: short stacking energy: -135.985
Base-Backbone interact. energy: -2.600
local terms energy: -257.506717
where:
bonds (distance) C4'-P energy: -71.113
bonds (distance) P-C4' energy: -85.854
flat angles C4'-P-C4' energy: -47.398
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -4.637
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -362.248889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.248889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.248889 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -112.371
Base-Backbone interact. energy: 7.516
local terms energy: -223.364568
where:
bonds (distance) C4'-P energy: -72.258
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: 0.511
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: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -363.762582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.762582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.762582 (E_RNA)
where:
Base-Base interactions energy: -170.200
where: short stacking energy: -103.400
Base-Backbone interact. energy: -4.047
local terms energy: -189.515272
where:
bonds (distance) C4'-P energy: -50.789
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -58.280
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: 9.470
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: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1389.926955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.926955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.926955 (E_RNA)
where:
Base-Base interactions energy: -955.536
where: short stacking energy: -390.709
Base-Backbone interact. energy: -0.414
local terms energy: -433.977231
where:
bonds (distance) C4'-P energy: -67.468
bonds (distance) P-C4' energy: -84.933
flat angles C4'-P-C4' energy: -97.620
flat angles P-C4'-P energy: -65.304
tors. eta vs tors. theta energy: -118.652
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: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1290.500507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.500507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.500507 (E_RNA)
where:
Base-Base interactions energy: -879.770
where: short stacking energy: -366.909
Base-Backbone interact. energy: -2.614
local terms energy: -408.116566
where:
bonds (distance) C4'-P energy: -68.443
bonds (distance) P-C4' energy: -83.280
flat angles C4'-P-C4' energy: -85.751
flat angles P-C4'-P energy: -51.176
tors. eta vs tors. theta energy: -119.466
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1257.146607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.146607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.146607 (E_RNA)
where:
Base-Base interactions energy: -829.368
where: short stacking energy: -387.102
Base-Backbone interact. energy: 2.499
local terms energy: -430.277070
where:
bonds (distance) C4'-P energy: -75.064
bonds (distance) P-C4' energy: -81.463
flat angles C4'-P-C4' energy: -91.954
flat angles P-C4'-P energy: -59.272
tors. eta vs tors. theta energy: -122.524
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: 109
Temperature: 1.050000
Total energy: -1179.584984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.584984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.584984 (E_RNA)
where:
Base-Base interactions energy: -823.034
where: short stacking energy: -333.122
Base-Backbone interact. energy: -0.647
local terms energy: -355.903834
where:
bonds (distance) C4'-P energy: -70.017
bonds (distance) P-C4' energy: -76.591
flat angles C4'-P-C4' energy: -78.719
flat angles P-C4'-P energy: -45.536
tors. eta vs tors. theta energy: -85.041
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: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1125.609356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.609356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.609356 (E_RNA)
where:
Base-Base interactions energy: -773.085
where: short stacking energy: -309.884
Base-Backbone interact. energy: -1.920
local terms energy: -350.603834
where:
bonds (distance) C4'-P energy: -66.281
bonds (distance) P-C4' energy: -69.107
flat angles C4'-P-C4' energy: -77.108
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -93.433
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: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -899.841693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.841693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.841693 (E_RNA)
where:
Base-Base interactions energy: -585.869
where: short stacking energy: -255.107
Base-Backbone interact. energy: 2.303
local terms energy: -316.275630
where:
bonds (distance) C4'-P energy: -63.530
bonds (distance) P-C4' energy: -83.337
flat angles C4'-P-C4' energy: -62.479
flat angles P-C4'-P energy: -46.824
tors. eta vs tors. theta energy: -60.105
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: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -809.811062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.811062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.811062 (E_RNA)
where:
Base-Base interactions energy: -492.490
where: short stacking energy: -239.513
Base-Backbone interact. energy: -0.026
local terms energy: -317.294693
where:
bonds (distance) C4'-P energy: -57.998
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -79.542
flat angles P-C4'-P energy: -51.995
tors. eta vs tors. theta energy: -62.169
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: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -386.650563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.650563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.650563 (E_RNA)
where:
Base-Base interactions energy: -144.051
where: short stacking energy: -112.606
Base-Backbone interact. energy: 1.101
local terms energy: -243.700352
where:
bonds (distance) C4'-P energy: -77.950
bonds (distance) P-C4' energy: -86.043
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -35.033
tors. eta vs tors. theta energy: 11.881
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: 109
Temperature: 1.300000
Total energy: -396.630955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.630955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.630955 (E_RNA)
where:
Base-Base interactions energy: -196.916
where: short stacking energy: -116.012
Base-Backbone interact. energy: 0.414
local terms energy: -200.128446
where:
bonds (distance) C4'-P energy: -73.556
bonds (distance) P-C4' energy: -64.162
flat angles C4'-P-C4' energy: -49.832
flat angles P-C4'-P energy: -28.913
tors. eta vs tors. theta energy: 16.334
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: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -306.093755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.093755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.093755 (E_RNA)
where:
Base-Base interactions energy: -97.331
where: short stacking energy: -79.837
Base-Backbone interact. energy: -0.773
local terms energy: -207.989100
where:
bonds (distance) C4'-P energy: -61.440
bonds (distance) P-C4' energy: -62.926
flat angles C4'-P-C4' energy: -55.457
flat angles P-C4'-P energy: -38.109
tors. eta vs tors. theta energy: 9.942
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1382.783877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.783877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.783877 (E_RNA)
where:
Base-Base interactions energy: -968.505
where: short stacking energy: -393.133
Base-Backbone interact. energy: -1.940
local terms energy: -412.338499
where:
bonds (distance) C4'-P energy: -68.148
bonds (distance) P-C4' energy: -80.347
flat angles C4'-P-C4' energy: -84.777
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -120.307
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1301.845986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.845986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.845986 (E_RNA)
where:
Base-Base interactions energy: -866.355
where: short stacking energy: -373.168
Base-Backbone interact. energy: -0.452
local terms energy: -435.038882
where:
bonds (distance) C4'-P energy: -87.050
bonds (distance) P-C4' energy: -79.612
flat angles C4'-P-C4' energy: -90.255
flat angles P-C4'-P energy: -59.196
tors. eta vs tors. theta energy: -118.925
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: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1266.333441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.333441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.333441 (E_RNA)
where:
Base-Base interactions energy: -838.471
where: short stacking energy: -381.502
Base-Backbone interact. energy: -1.518
local terms energy: -426.344101
where:
bonds (distance) C4'-P energy: -74.492
bonds (distance) P-C4' energy: -76.782
flat angles C4'-P-C4' energy: -85.818
flat angles P-C4'-P energy: -59.487
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: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1157.019529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.019529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.019529 (E_RNA)
where:
Base-Base interactions energy: -803.674
where: short stacking energy: -325.279
Base-Backbone interact. energy: 0.670
local terms energy: -354.016027
where:
bonds (distance) C4'-P energy: -69.364
bonds (distance) P-C4' energy: -75.466
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -42.932
tors. eta vs tors. theta energy: -95.141
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: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1124.204419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.204419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.204419 (E_RNA)
where:
Base-Base interactions energy: -728.753
where: short stacking energy: -319.030
Base-Backbone interact. energy: -0.215
local terms energy: -395.236318
where:
bonds (distance) C4'-P energy: -75.982
bonds (distance) P-C4' energy: -76.767
flat angles C4'-P-C4' energy: -90.825
flat angles P-C4'-P energy: -62.341
tors. eta vs tors. theta energy: -89.322
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: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -881.797868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.797868 (E_RNA)
where:
Base-Base interactions energy: -553.057
where: short stacking energy: -246.824
Base-Backbone interact. energy: 4.652
local terms energy: -333.392471
where:
bonds (distance) C4'-P energy: -69.290
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -61.912
flat angles P-C4'-P energy: -57.951
tors. eta vs tors. theta energy: -74.768
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: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -810.815237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.815237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.815237 (E_RNA)
where:
Base-Base interactions energy: -507.697
where: short stacking energy: -230.834
Base-Backbone interact. energy: -0.320
local terms energy: -302.797798
where:
bonds (distance) C4'-P energy: -60.161
bonds (distance) P-C4' energy: -71.404
flat angles C4'-P-C4' energy: -77.112
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -49.317
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -387.841999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.841999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.841999 (E_RNA)
where:
Base-Base interactions energy: -129.431
where: short stacking energy: -106.192
Base-Backbone interact. energy: 2.533
local terms energy: -260.943650
where:
bonds (distance) C4'-P energy: -80.774
bonds (distance) P-C4' energy: -74.958
flat angles C4'-P-C4' energy: -66.431
flat angles P-C4'-P energy: -43.902
tors. eta vs tors. theta energy: 5.122
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: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -413.767145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.767145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.767145 (E_RNA)
where:
Base-Base interactions energy: -171.681
where: short stacking energy: -116.831
Base-Backbone interact. energy: -1.679
local terms energy: -240.406933
where:
bonds (distance) C4'-P energy: -68.901
bonds (distance) P-C4' energy: -76.813
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -35.532
tors. eta vs tors. theta energy: -4.595
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: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -292.111410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.111410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.111410 (E_RNA)
where:
Base-Base interactions energy: -118.954
where: short stacking energy: -76.324
Base-Backbone interact. energy: 1.016
local terms energy: -174.173779
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -73.433
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -24.494
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1384.340362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.340362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.340362 (E_RNA)
where:
Base-Base interactions energy: -953.334
where: short stacking energy: -372.540
Base-Backbone interact. energy: -0.994
local terms energy: -430.011936
where:
bonds (distance) C4'-P energy: -81.071
bonds (distance) P-C4' energy: -82.977
flat angles C4'-P-C4' energy: -89.248
flat angles P-C4'-P energy: -61.763
tors. eta vs tors. theta energy: -114.953
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: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1318.704660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.704660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.704660 (E_RNA)
where:
Base-Base interactions energy: -895.934
where: short stacking energy: -383.054
Base-Backbone interact. energy: -1.656
local terms energy: -421.115194
where:
bonds (distance) C4'-P energy: -78.876
bonds (distance) P-C4' energy: -70.878
flat angles C4'-P-C4' energy: -89.440
flat angles P-C4'-P energy: -64.565
tors. eta vs tors. theta energy: -117.356
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: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1270.878492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.878492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.878492 (E_RNA)
where:
Base-Base interactions energy: -858.166
where: short stacking energy: -396.607
Base-Backbone interact. energy: -0.769
local terms energy: -411.943533
where:
bonds (distance) C4'-P energy: -76.920
bonds (distance) P-C4' energy: -67.980
flat angles C4'-P-C4' energy: -85.515
flat angles P-C4'-P energy: -54.478
tors. eta vs tors. theta energy: -127.051
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: 111
Temperature: 1.050000
Total energy: -1173.181666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.181666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.181666 (E_RNA)
where:
Base-Base interactions energy: -806.805
where: short stacking energy: -310.558
Base-Backbone interact. energy: -1.005
local terms energy: -365.371360
where:
bonds (distance) C4'-P energy: -72.289
bonds (distance) P-C4' energy: -75.921
flat angles C4'-P-C4' energy: -86.558
flat angles P-C4'-P energy: -42.174
tors. eta vs tors. theta energy: -88.429
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: 111
Temperature: 1.100000
Total energy: -1098.915009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.915009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.915009 (E_RNA)
where:
Base-Base interactions energy: -734.463
where: short stacking energy: -316.875
Base-Backbone interact. energy: 0.140
local terms energy: -364.591467
where:
bonds (distance) C4'-P energy: -69.656
bonds (distance) P-C4' energy: -76.407
flat angles C4'-P-C4' energy: -76.865
flat angles P-C4'-P energy: -57.732
tors. eta vs tors. theta energy: -83.932
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: 111
Temperature: 1.150000
Total energy: -892.751489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.751489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.751489 (E_RNA)
where:
Base-Base interactions energy: -567.621
where: short stacking energy: -247.461
Base-Backbone interact. energy: -0.006
local terms energy: -325.124669
where:
bonds (distance) C4'-P energy: -68.331
bonds (distance) P-C4' energy: -77.892
flat angles C4'-P-C4' energy: -73.332
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -60.172
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -787.178640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.178640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.178640 (E_RNA)
where:
Base-Base interactions energy: -478.557
where: short stacking energy: -228.111
Base-Backbone interact. energy: 0.166
local terms energy: -308.787492
where:
bonds (distance) C4'-P energy: -54.754
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -73.420
flat angles P-C4'-P energy: -46.578
tors. eta vs tors. theta energy: -60.465
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: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -441.266794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.266794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.266794 (E_RNA)
where:
Base-Base interactions energy: -191.666
where: short stacking energy: -131.296
Base-Backbone interact. energy: -0.547
local terms energy: -249.053571
where:
bonds (distance) C4'-P energy: -71.546
bonds (distance) P-C4' energy: -76.656
flat angles C4'-P-C4' energy: -64.287
flat angles P-C4'-P energy: -35.127
tors. eta vs tors. theta energy: -1.437
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -337.345061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.345061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.345061 (E_RNA)
where:
Base-Base interactions energy: -119.442
where: short stacking energy: -84.382
Base-Backbone interact. energy: 0.874
local terms energy: -218.777513
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -83.279
flat angles C4'-P-C4' energy: -69.450
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: 20.528
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: 111
Temperature: 1.350000
Total energy: -313.275233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.275233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.275233 (E_RNA)
where:
Base-Base interactions energy: -114.182
where: short stacking energy: -88.667
Base-Backbone interact. energy: -0.501
local terms energy: -198.592444
where:
bonds (distance) C4'-P energy: -70.564
bonds (distance) P-C4' energy: -69.294
flat angles C4'-P-C4' energy: -66.427
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: 13.443
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1414.534517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.534517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.534517 (E_RNA)
where:
Base-Base interactions energy: -981.986
where: short stacking energy: -398.781
Base-Backbone interact. energy: -4.070
local terms energy: -428.479382
where:
bonds (distance) C4'-P energy: -80.041
bonds (distance) P-C4' energy: -77.841
flat angles C4'-P-C4' energy: -86.450
flat angles P-C4'-P energy: -59.850
tors. eta vs tors. theta energy: -124.297
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1292.506205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.506205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.506205 (E_RNA)
where:
Base-Base interactions energy: -881.893
where: short stacking energy: -378.323
Base-Backbone interact. energy: 0.042
local terms energy: -410.655775
where:
bonds (distance) C4'-P energy: -69.949
bonds (distance) P-C4' energy: -74.953
flat angles C4'-P-C4' energy: -85.105
flat angles P-C4'-P energy: -61.840
tors. eta vs tors. theta energy: -118.809
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: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1251.771047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.771047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.771047 (E_RNA)
where:
Base-Base interactions energy: -813.877
where: short stacking energy: -380.822
Base-Backbone interact. energy: -1.251
local terms energy: -436.643433
where:
bonds (distance) C4'-P energy: -83.115
bonds (distance) P-C4' energy: -84.968
flat angles C4'-P-C4' energy: -79.232
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -124.322
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: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1160.586424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.586424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.586424 (E_RNA)
where:
Base-Base interactions energy: -774.648
where: short stacking energy: -325.292
Base-Backbone interact. energy: 0.687
local terms energy: -386.625816
where:
bonds (distance) C4'-P energy: -80.645
bonds (distance) P-C4' energy: -77.003
flat angles C4'-P-C4' energy: -82.663
flat angles P-C4'-P energy: -55.517
tors. eta vs tors. theta energy: -90.797
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: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1115.631809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.631809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.631809 (E_RNA)
where:
Base-Base interactions energy: -761.418
where: short stacking energy: -324.348
Base-Backbone interact. energy: 1.894
local terms energy: -356.107699
where:
bonds (distance) C4'-P energy: -75.535
bonds (distance) P-C4' energy: -68.416
flat angles C4'-P-C4' energy: -75.185
flat angles P-C4'-P energy: -57.287
tors. eta vs tors. theta energy: -79.685
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: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -900.262505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.262505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.262505 (E_RNA)
where:
Base-Base interactions energy: -607.679
where: short stacking energy: -278.908
Base-Backbone interact. energy: -1.089
local terms energy: -291.494243
where:
bonds (distance) C4'-P energy: -65.369
bonds (distance) P-C4' energy: -64.735
flat angles C4'-P-C4' energy: -61.192
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -59.130
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: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -750.962375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.962375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.962375 (E_RNA)
where:
Base-Base interactions energy: -441.430
where: short stacking energy: -207.000
Base-Backbone interact. energy: -1.379
local terms energy: -308.153112
where:
bonds (distance) C4'-P energy: -71.632
bonds (distance) P-C4' energy: -72.138
flat angles C4'-P-C4' energy: -69.265
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -53.106
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: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -424.320046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.320046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.320046 (E_RNA)
where:
Base-Base interactions energy: -203.423
where: short stacking energy: -128.200
Base-Backbone interact. energy: 3.411
local terms energy: -224.307528
where:
bonds (distance) C4'-P energy: -65.659
bonds (distance) P-C4' energy: -58.753
flat angles C4'-P-C4' energy: -58.268
flat angles P-C4'-P energy: -30.405
tors. eta vs tors. theta energy: -11.223
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: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -325.063802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.063802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.063802 (E_RNA)
where:
Base-Base interactions energy: -96.202
where: short stacking energy: -78.815
Base-Backbone interact. energy: -0.490
local terms energy: -228.371149
where:
bonds (distance) C4'-P energy: -68.024
bonds (distance) P-C4' energy: -69.273
flat angles C4'-P-C4' energy: -61.021
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: 12.022
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: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -338.163159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.163159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.163159 (E_RNA)
where:
Base-Base interactions energy: -147.876
where: short stacking energy: -104.762
Base-Backbone interact. energy: 1.765
local terms energy: -192.051888
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -73.930
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -27.925
tors. eta vs tors. theta energy: 11.109
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: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1381.606932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.606932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.606932 (E_RNA)
where:
Base-Base interactions energy: -935.941
where: short stacking energy: -380.086
Base-Backbone interact. energy: 0.164
local terms energy: -445.829410
where:
bonds (distance) C4'-P energy: -88.317
bonds (distance) P-C4' energy: -81.191
flat angles C4'-P-C4' energy: -91.104
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -116.788
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: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1297.819430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.819430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.819430 (E_RNA)
where:
Base-Base interactions energy: -894.778
where: short stacking energy: -386.155
Base-Backbone interact. energy: 0.548
local terms energy: -403.589084
where:
bonds (distance) C4'-P energy: -64.723
bonds (distance) P-C4' energy: -77.392
flat angles C4'-P-C4' energy: -85.357
flat angles P-C4'-P energy: -67.392
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: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1245.854308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.854308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.854308 (E_RNA)
where:
Base-Base interactions energy: -831.512
where: short stacking energy: -357.792
Base-Backbone interact. energy: -0.151
local terms energy: -414.191934
where:
bonds (distance) C4'-P energy: -77.444
bonds (distance) P-C4' energy: -82.204
flat angles C4'-P-C4' energy: -86.682
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -111.479
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: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1165.545887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.545887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.545887 (E_RNA)
where:
Base-Base interactions energy: -784.515
where: short stacking energy: -344.142
Base-Backbone interact. energy: -3.848
local terms energy: -377.182508
where:
bonds (distance) C4'-P energy: -56.340
bonds (distance) P-C4' energy: -72.012
flat angles C4'-P-C4' energy: -94.946
flat angles P-C4'-P energy: -56.393
tors. eta vs tors. theta energy: -97.492
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1109.106935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.106935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.106935 (E_RNA)
where:
Base-Base interactions energy: -751.877
where: short stacking energy: -313.535
Base-Backbone interact. energy: -1.828
local terms energy: -355.401132
where:
bonds (distance) C4'-P energy: -65.333
bonds (distance) P-C4' energy: -78.984
flat angles C4'-P-C4' energy: -75.311
flat angles P-C4'-P energy: -50.572
tors. eta vs tors. theta energy: -85.201
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: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -914.025350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.025350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.025350 (E_RNA)
where:
Base-Base interactions energy: -564.338
where: short stacking energy: -244.224
Base-Backbone interact. energy: -1.923
local terms energy: -347.764303
where:
bonds (distance) C4'-P energy: -74.809
bonds (distance) P-C4' energy: -75.791
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -46.911
tors. eta vs tors. theta energy: -68.793
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: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -783.020763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.020763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.020763 (E_RNA)
where:
Base-Base interactions energy: -468.288
where: short stacking energy: -218.155
Base-Backbone interact. energy: -1.346
local terms energy: -313.386471
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -87.394
flat angles C4'-P-C4' energy: -69.080
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -46.581
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: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -377.462272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.462272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.462272 (E_RNA)
where:
Base-Base interactions energy: -161.626
where: short stacking energy: -138.740
Base-Backbone interact. energy: 0.186
local terms energy: -216.021895
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -65.369
flat angles C4'-P-C4' energy: -44.579
flat angles P-C4'-P energy: -46.482
tors. eta vs tors. theta energy: -1.300
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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -352.275590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.275590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.275590 (E_RNA)
where:
Base-Base interactions energy: -127.591
where: short stacking energy: -91.591
Base-Backbone interact. energy: 1.177
local terms energy: -225.861881
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -77.257
flat angles C4'-P-C4' energy: -70.102
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: 3.828
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: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -325.443717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.443717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.443717 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -94.723
Base-Backbone interact. energy: -0.579
local terms energy: -201.088910
where:
bonds (distance) C4'-P energy: -61.329
bonds (distance) P-C4' energy: -71.345
flat angles C4'-P-C4' energy: -48.575
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: 15.395
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: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1412.104604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.104604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.104604 (E_RNA)
where:
Base-Base interactions energy: -987.759
where: short stacking energy: -393.303
Base-Backbone interact. energy: -0.316
local terms energy: -424.030039
where:
bonds (distance) C4'-P energy: -74.172
bonds (distance) P-C4' energy: -87.569
flat angles C4'-P-C4' energy: -82.477
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -125.534
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: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1302.380606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.380606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.380606 (E_RNA)
where:
Base-Base interactions energy: -882.943
where: short stacking energy: -387.646
Base-Backbone interact. energy: -0.671
local terms energy: -418.766295
where:
bonds (distance) C4'-P energy: -81.795
bonds (distance) P-C4' energy: -79.597
flat angles C4'-P-C4' energy: -84.649
flat angles P-C4'-P energy: -57.080
tors. eta vs tors. theta energy: -115.645
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: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1251.540068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.540068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.540068 (E_RNA)
where:
Base-Base interactions energy: -829.039
where: short stacking energy: -370.991
Base-Backbone interact. energy: -2.038
local terms energy: -420.463525
where:
bonds (distance) C4'-P energy: -81.020
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -90.197
flat angles P-C4'-P energy: -60.200
tors. eta vs tors. theta energy: -121.858
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: 114
Temperature: 1.050000
Total energy: -1142.256436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.256436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.256436 (E_RNA)
where:
Base-Base interactions energy: -755.167
where: short stacking energy: -338.616
Base-Backbone interact. energy: 1.287
local terms energy: -388.376782
where:
bonds (distance) C4'-P energy: -78.639
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -86.057
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -99.136
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: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1125.461461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.461461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.461461 (E_RNA)
where:
Base-Base interactions energy: -759.612
where: short stacking energy: -323.131
Base-Backbone interact. energy: -0.097
local terms energy: -365.752648
where:
bonds (distance) C4'-P energy: -78.840
bonds (distance) P-C4' energy: -81.233
flat angles C4'-P-C4' energy: -68.165
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -93.405
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: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -972.730835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.730835 (E_RNA)
where:
Base-Base interactions energy: -648.184
where: short stacking energy: -283.028
Base-Backbone interact. energy: 1.714
local terms energy: -326.261083
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -72.164
flat angles C4'-P-C4' energy: -83.255
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -67.321
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: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -862.990142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.990142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.990142 (E_RNA)
where:
Base-Base interactions energy: -563.350
where: short stacking energy: -264.803
Base-Backbone interact. energy: 5.405
local terms energy: -305.045279
where:
bonds (distance) C4'-P energy: -67.773
bonds (distance) P-C4' energy: -68.366
flat angles C4'-P-C4' energy: -69.057
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -56.958
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: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -360.895859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.895859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.895859 (E_RNA)
where:
Base-Base interactions energy: -114.880
where: short stacking energy: -109.723
Base-Backbone interact. energy: -2.045
local terms energy: -243.971212
where:
bonds (distance) C4'-P energy: -74.996
bonds (distance) P-C4' energy: -68.748
flat angles C4'-P-C4' energy: -67.558
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: 4.210
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: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -351.753864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.753864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.753864 (E_RNA)
where:
Base-Base interactions energy: -135.848
where: short stacking energy: -77.699
Base-Backbone interact. energy: -0.845
local terms energy: -215.060877
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -76.341
flat angles C4'-P-C4' energy: -50.177
flat angles P-C4'-P energy: -43.359
tors. eta vs tors. theta energy: 12.824
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: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -340.020447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.020447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.020447 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -94.080
Base-Backbone interact. energy: 1.485
local terms energy: -203.862735
where:
bonds (distance) C4'-P energy: -68.844
bonds (distance) P-C4' energy: -64.906
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -22.914
tors. eta vs tors. theta energy: 4.582
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: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1403.233515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.233515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.233515 (E_RNA)
where:
Base-Base interactions energy: -977.341
where: short stacking energy: -393.515
Base-Backbone interact. energy: 1.256
local terms energy: -427.148569
where:
bonds (distance) C4'-P energy: -78.297
bonds (distance) P-C4' energy: -79.878
flat angles C4'-P-C4' energy: -89.719
flat angles P-C4'-P energy: -55.495
tors. eta vs tors. theta energy: -123.761
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: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1283.719334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.719334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.719334 (E_RNA)
where:
Base-Base interactions energy: -891.981
where: short stacking energy: -379.523
Base-Backbone interact. energy: -0.452
local terms energy: -391.285904
where:
bonds (distance) C4'-P energy: -77.036
bonds (distance) P-C4' energy: -67.769
flat angles C4'-P-C4' energy: -94.002
flat angles P-C4'-P energy: -46.014
tors. eta vs tors. theta energy: -106.466
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: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1219.741929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.741929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.741929 (E_RNA)
where:
Base-Base interactions energy: -804.515
where: short stacking energy: -386.156
Base-Backbone interact. energy: -0.866
local terms energy: -414.361116
where:
bonds (distance) C4'-P energy: -79.423
bonds (distance) P-C4' energy: -70.250
flat angles C4'-P-C4' energy: -90.270
flat angles P-C4'-P energy: -56.264
tors. eta vs tors. theta energy: -118.155
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: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1147.218256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.218256 (E_RNA)
where:
Base-Base interactions energy: -779.662
where: short stacking energy: -311.334
Base-Backbone interact. energy: -0.632
local terms energy: -366.924103
where:
bonds (distance) C4'-P energy: -79.168
bonds (distance) P-C4' energy: -75.653
flat angles C4'-P-C4' energy: -74.152
flat angles P-C4'-P energy: -48.731
tors. eta vs tors. theta energy: -89.220
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1061.249716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.249716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.249716 (E_RNA)
where:
Base-Base interactions energy: -721.974
where: short stacking energy: -295.005
Base-Backbone interact. energy: -2.114
local terms energy: -337.161385
where:
bonds (distance) C4'-P energy: -73.062
bonds (distance) P-C4' energy: -70.070
flat angles C4'-P-C4' energy: -75.825
flat angles P-C4'-P energy: -48.229
tors. eta vs tors. theta energy: -69.976
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -958.928161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.928161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.928161 (E_RNA)
where:
Base-Base interactions energy: -631.398
where: short stacking energy: -273.858
Base-Backbone interact. energy: -1.807
local terms energy: -325.723516
where:
bonds (distance) C4'-P energy: -69.435
bonds (distance) P-C4' energy: -71.234
flat angles C4'-P-C4' energy: -66.315
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -64.802
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: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -873.252229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.252229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.252229 (E_RNA)
where:
Base-Base interactions energy: -562.539
where: short stacking energy: -242.265
Base-Backbone interact. energy: -0.168
local terms energy: -310.545406
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -75.692
flat angles C4'-P-C4' energy: -63.997
flat angles P-C4'-P energy: -42.148
tors. eta vs tors. theta energy: -66.420
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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -374.065622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.065622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.065622 (E_RNA)
where:
Base-Base interactions energy: -139.677
where: short stacking energy: -96.177
Base-Backbone interact. energy: -0.510
local terms energy: -233.878096
where:
bonds (distance) C4'-P energy: -65.093
bonds (distance) P-C4' energy: -77.653
flat angles C4'-P-C4' energy: -58.409
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: 17.109
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: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -339.257030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.257030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.257030 (E_RNA)
where:
Base-Base interactions energy: -124.303
where: short stacking energy: -102.268
Base-Backbone interact. energy: -0.428
local terms energy: -214.526568
where:
bonds (distance) C4'-P energy: -57.175
bonds (distance) P-C4' energy: -83.100
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: 6.678
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: 115
Temperature: 1.350000
Total energy: -327.555214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.555214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.555214 (E_RNA)
where:
Base-Base interactions energy: -128.425
where: short stacking energy: -96.166
Base-Backbone interact. energy: -1.131
local terms energy: -197.998320
where:
bonds (distance) C4'-P energy: -70.083
bonds (distance) P-C4' energy: -58.024
flat angles C4'-P-C4' energy: -63.809
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: 17.995
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1402.982919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.982919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.982919 (E_RNA)
where:
Base-Base interactions energy: -997.388
where: short stacking energy: -395.031
Base-Backbone interact. energy: 0.700
local terms energy: -406.294746
where:
bonds (distance) C4'-P energy: -76.762
bonds (distance) P-C4' energy: -79.992
flat angles C4'-P-C4' energy: -86.496
flat angles P-C4'-P energy: -51.270
tors. eta vs tors. theta energy: -111.775
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: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1296.242100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.242100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.242100 (E_RNA)
where:
Base-Base interactions energy: -874.403
where: short stacking energy: -372.638
Base-Backbone interact. energy: 0.296
local terms energy: -422.135008
where:
bonds (distance) C4'-P energy: -85.701
bonds (distance) P-C4' energy: -80.917
flat angles C4'-P-C4' energy: -81.361
flat angles P-C4'-P energy: -59.965
tors. eta vs tors. theta energy: -114.190
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: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1222.361121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.361121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.361121 (E_RNA)
where:
Base-Base interactions energy: -819.611
where: short stacking energy: -370.969
Base-Backbone interact. energy: 0.227
local terms energy: -402.977168
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -75.224
flat angles C4'-P-C4' energy: -70.419
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -114.177
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: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1117.003500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.003500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.003500 (E_RNA)
where:
Base-Base interactions energy: -750.989
where: short stacking energy: -309.594
Base-Backbone interact. energy: -0.611
local terms energy: -365.403912
where:
bonds (distance) C4'-P energy: -77.345
bonds (distance) P-C4' energy: -76.679
flat angles C4'-P-C4' energy: -77.295
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -86.477
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: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1047.703192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.703192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.703192 (E_RNA)
where:
Base-Base interactions energy: -700.066
where: short stacking energy: -317.391
Base-Backbone interact. energy: 13.831
local terms energy: -361.468286
where:
bonds (distance) C4'-P energy: -74.375
bonds (distance) P-C4' energy: -70.235
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -87.499
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: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -939.063616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.063616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.063616 (E_RNA)
where:
Base-Base interactions energy: -609.269
where: short stacking energy: -262.067
Base-Backbone interact. energy: -2.895
local terms energy: -326.899310
where:
bonds (distance) C4'-P energy: -69.858
bonds (distance) P-C4' energy: -60.044
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -54.419
tors. eta vs tors. theta energy: -73.112
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: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -914.038001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.038001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.038001 (E_RNA)
where:
Base-Base interactions energy: -576.564
where: short stacking energy: -265.725
Base-Backbone interact. energy: 1.074
local terms energy: -338.548019
where:
bonds (distance) C4'-P energy: -79.803
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -77.960
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -72.474
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: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -421.776901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.776901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.776901 (E_RNA)
where:
Base-Base interactions energy: -181.418
where: short stacking energy: -131.538
Base-Backbone interact. energy: -0.462
local terms energy: -239.896386
where:
bonds (distance) C4'-P energy: -61.796
bonds (distance) P-C4' energy: -76.353
flat angles C4'-P-C4' energy: -62.068
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: 0.347
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: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -328.583837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.583837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.583837 (E_RNA)
where:
Base-Base interactions energy: -100.950
where: short stacking energy: -72.335
Base-Backbone interact. energy: -0.436
local terms energy: -227.197551
where:
bonds (distance) C4'-P energy: -75.660
bonds (distance) P-C4' energy: -70.505
flat angles C4'-P-C4' energy: -54.607
flat angles P-C4'-P energy: -42.256
tors. eta vs tors. theta energy: 15.831
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -320.367596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.367596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.367596 (E_RNA)
where:
Base-Base interactions energy: -113.440
where: short stacking energy: -87.935
Base-Backbone interact. energy: 3.433
local terms energy: -210.360220
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -80.514
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: 8.431
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: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1354.564275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.564275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.564275 (E_RNA)
where:
Base-Base interactions energy: -942.891
where: short stacking energy: -382.506
Base-Backbone interact. energy: -0.723
local terms energy: -410.949449
where:
bonds (distance) C4'-P energy: -73.152
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -85.076
flat angles P-C4'-P energy: -62.198
tors. eta vs tors. theta energy: -117.864
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: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1306.857091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.857091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.857091 (E_RNA)
where:
Base-Base interactions energy: -874.697
where: short stacking energy: -378.804
Base-Backbone interact. energy: -2.554
local terms energy: -429.605415
where:
bonds (distance) C4'-P energy: -81.161
bonds (distance) P-C4' energy: -77.536
flat angles C4'-P-C4' energy: -90.986
flat angles P-C4'-P energy: -64.654
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: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1270.268395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.268395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.268395 (E_RNA)
where:
Base-Base interactions energy: -859.512
where: short stacking energy: -387.015
Base-Backbone interact. energy: 3.716
local terms energy: -414.472091
where:
bonds (distance) C4'-P energy: -70.519
bonds (distance) P-C4' energy: -81.301
flat angles C4'-P-C4' energy: -87.555
flat angles P-C4'-P energy: -52.905
tors. eta vs tors. theta energy: -122.192
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: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1151.409132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.409132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.409132 (E_RNA)
where:
Base-Base interactions energy: -766.699
where: short stacking energy: -325.141
Base-Backbone interact. energy: -1.868
local terms energy: -382.842797
where:
bonds (distance) C4'-P energy: -74.176
bonds (distance) P-C4' energy: -84.521
flat angles C4'-P-C4' energy: -81.393
flat angles P-C4'-P energy: -49.508
tors. eta vs tors. theta energy: -93.245
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: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1077.595403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.595403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.595403 (E_RNA)
where:
Base-Base interactions energy: -720.099
where: short stacking energy: -293.902
Base-Backbone interact. energy: 2.261
local terms energy: -359.757068
where:
bonds (distance) C4'-P energy: -76.449
bonds (distance) P-C4' energy: -65.772
flat angles C4'-P-C4' energy: -84.569
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -95.448
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: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -932.200081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.200081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.200081 (E_RNA)
where:
Base-Base interactions energy: -616.785
where: short stacking energy: -245.433
Base-Backbone interact. energy: -0.299
local terms energy: -315.115261
where:
bonds (distance) C4'-P energy: -66.026
bonds (distance) P-C4' energy: -59.205
flat angles C4'-P-C4' energy: -70.785
flat angles P-C4'-P energy: -62.611
tors. eta vs tors. theta energy: -56.489
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: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -903.089852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.089852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.089852 (E_RNA)
where:
Base-Base interactions energy: -560.360
where: short stacking energy: -262.821
Base-Backbone interact. energy: -1.264
local terms energy: -341.466068
where:
bonds (distance) C4'-P energy: -76.486
bonds (distance) P-C4' energy: -70.064
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -42.391
tors. eta vs tors. theta energy: -82.674
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -416.612878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.612878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.612878 (E_RNA)
where:
Base-Base interactions energy: -180.787
where: short stacking energy: -126.595
Base-Backbone interact. energy: 0.484
local terms energy: -236.309654
where:
bonds (distance) C4'-P energy: -70.255
bonds (distance) P-C4' energy: -77.074
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -1.390
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: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -347.672817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.672817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.672817 (E_RNA)
where:
Base-Base interactions energy: -146.222
where: short stacking energy: -103.568
Base-Backbone interact. energy: 2.342
local terms energy: -203.792762
where:
bonds (distance) C4'-P energy: -65.385
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -26.624
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: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -332.747324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.747324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.747324 (E_RNA)
where:
Base-Base interactions energy: -110.763
where: short stacking energy: -94.290
Base-Backbone interact. energy: -0.203
local terms energy: -221.780707
where:
bonds (distance) C4'-P energy: -48.918
bonds (distance) P-C4' energy: -78.192
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: 15.055
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: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1343.480164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.480164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.480164 (E_RNA)
where:
Base-Base interactions energy: -917.375
where: short stacking energy: -410.153
Base-Backbone interact. energy: -4.263
local terms energy: -421.841915
where:
bonds (distance) C4'-P energy: -86.208
bonds (distance) P-C4' energy: -74.159
flat angles C4'-P-C4' energy: -91.759
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -116.251
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: 2, replica: 9
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1392.427404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.427404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.427404 (E_RNA)
where:
Base-Base interactions energy: -976.102
where: short stacking energy: -397.104
Base-Backbone interact. energy: -0.724
local terms energy: -415.601504
where:
bonds (distance) C4'-P energy: -69.686
bonds (distance) P-C4' energy: -79.445
flat angles C4'-P-C4' energy: -91.980
flat angles P-C4'-P energy: -53.496
tors. eta vs tors. theta energy: -120.995
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: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1260.942627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.942627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.942627 (E_RNA)
where:
Base-Base interactions energy: -863.826
where: short stacking energy: -377.713
Base-Backbone interact. energy: -0.970
local terms energy: -396.146893
where:
bonds (distance) C4'-P energy: -69.203
bonds (distance) P-C4' energy: -72.375
flat angles C4'-P-C4' energy: -80.797
flat angles P-C4'-P energy: -53.253
tors. eta vs tors. theta energy: -120.519
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: 118
Temperature: 1.050000
Total energy: -1120.708569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.708569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.708569 (E_RNA)
where:
Base-Base interactions energy: -760.675
where: short stacking energy: -297.989
Base-Backbone interact. energy: 0.729
local terms energy: -360.762295
where:
bonds (distance) C4'-P energy: -70.637
bonds (distance) P-C4' energy: -65.738
flat angles C4'-P-C4' energy: -82.838
flat angles P-C4'-P energy: -52.325
tors. eta vs tors. theta energy: -89.225
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: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1014.415237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.415237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.415237 (E_RNA)
where:
Base-Base interactions energy: -676.159
where: short stacking energy: -293.718
Base-Backbone interact. energy: -2.607
local terms energy: -335.648955
where:
bonds (distance) C4'-P energy: -66.628
bonds (distance) P-C4' energy: -71.788
flat angles C4'-P-C4' energy: -74.874
flat angles P-C4'-P energy: -56.372
tors. eta vs tors. theta energy: -65.986
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: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -871.231418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.231418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.231418 (E_RNA)
where:
Base-Base interactions energy: -546.571
where: short stacking energy: -231.849
Base-Backbone interact. energy: -3.249
local terms energy: -321.411863
where:
bonds (distance) C4'-P energy: -76.413
bonds (distance) P-C4' energy: -63.053
flat angles C4'-P-C4' energy: -77.419
flat angles P-C4'-P energy: -52.042
tors. eta vs tors. theta energy: -52.485
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: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -901.694883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.694883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.694883 (E_RNA)
where:
Base-Base interactions energy: -544.015
where: short stacking energy: -265.753
Base-Backbone interact. energy: 0.014
local terms energy: -357.693458
where:
bonds (distance) C4'-P energy: -62.670
bonds (distance) P-C4' energy: -72.533
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -59.350
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: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -427.047286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.047286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.047286 (E_RNA)
where:
Base-Base interactions energy: -179.783
where: short stacking energy: -113.132
Base-Backbone interact. energy: 1.063
local terms energy: -248.327049
where:
bonds (distance) C4'-P energy: -76.903
bonds (distance) P-C4' energy: -71.166
flat angles C4'-P-C4' energy: -65.730
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -3.771
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: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -391.240633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.240633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.240633 (E_RNA)
where:
Base-Base interactions energy: -177.206
where: short stacking energy: -127.998
Base-Backbone interact. energy: 1.871
local terms energy: -215.905608
where:
bonds (distance) C4'-P energy: -56.207
bonds (distance) P-C4' energy: -76.684
flat angles C4'-P-C4' energy: -60.192
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -6.013
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: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -309.558931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.558931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.558931 (E_RNA)
where:
Base-Base interactions energy: -102.041
where: short stacking energy: -90.332
Base-Backbone interact. energy: -0.558
local terms energy: -206.959953
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -69.932
flat angles C4'-P-C4' energy: -44.888
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: 3.764
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: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1349.113964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.113964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.113964 (E_RNA)
where:
Base-Base interactions energy: -932.131
where: short stacking energy: -376.825
Base-Backbone interact. energy: -2.015
local terms energy: -414.967619
where:
bonds (distance) C4'-P energy: -73.637
bonds (distance) P-C4' energy: -84.245
flat angles C4'-P-C4' energy: -80.180
flat angles P-C4'-P energy: -58.564
tors. eta vs tors. theta energy: -118.342
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: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1379.184780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.184780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.184780 (E_RNA)
where:
Base-Base interactions energy: -959.164
where: short stacking energy: -412.138
Base-Backbone interact. energy: -1.171
local terms energy: -418.850035
where:
bonds (distance) C4'-P energy: -72.776
bonds (distance) P-C4' energy: -82.104
flat angles C4'-P-C4' energy: -91.974
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -126.042
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: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1260.859040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.859040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.859040 (E_RNA)
where:
Base-Base interactions energy: -854.645
where: short stacking energy: -387.127
Base-Backbone interact. energy: -0.579
local terms energy: -405.635229
where:
bonds (distance) C4'-P energy: -70.294
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -90.460
flat angles P-C4'-P energy: -54.441
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: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1101.621478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.621478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.621478 (E_RNA)
where:
Base-Base interactions energy: -736.951
where: short stacking energy: -314.775
Base-Backbone interact. energy: -1.746
local terms energy: -362.924579
where:
bonds (distance) C4'-P energy: -78.982
bonds (distance) P-C4' energy: -70.456
flat angles C4'-P-C4' energy: -76.615
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -84.694
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: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -997.174799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.174799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.174799 (E_RNA)
where:
Base-Base interactions energy: -669.996
where: short stacking energy: -295.829
Base-Backbone interact. energy: -2.416
local terms energy: -324.763386
where:
bonds (distance) C4'-P energy: -71.557
bonds (distance) P-C4' energy: -59.575
flat angles C4'-P-C4' energy: -67.906
flat angles P-C4'-P energy: -48.729
tors. eta vs tors. theta energy: -76.996
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: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -905.354696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.354696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.354696 (E_RNA)
where:
Base-Base interactions energy: -583.153
where: short stacking energy: -261.380
Base-Backbone interact. energy: -0.223
local terms energy: -321.977928
where:
bonds (distance) C4'-P energy: -68.305
bonds (distance) P-C4' energy: -60.940
flat angles C4'-P-C4' energy: -68.995
flat angles P-C4'-P energy: -50.320
tors. eta vs tors. theta energy: -73.418
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: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -832.098497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.098497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.098497 (E_RNA)
where:
Base-Base interactions energy: -526.206
where: short stacking energy: -234.779
Base-Backbone interact. energy: -0.700
local terms energy: -305.192189
where:
bonds (distance) C4'-P energy: -70.012
bonds (distance) P-C4' energy: -82.926
flat angles C4'-P-C4' energy: -62.947
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: -38.835
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: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -492.845334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.845334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.845334 (E_RNA)
where:
Base-Base interactions energy: -239.994
where: short stacking energy: -132.800
Base-Backbone interact. energy: 3.263
local terms energy: -256.114293
where:
bonds (distance) C4'-P energy: -67.565
bonds (distance) P-C4' energy: -80.826
flat angles C4'-P-C4' energy: -61.094
flat angles P-C4'-P energy: -36.644
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: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -364.024912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.024912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.024912 (E_RNA)
where:
Base-Base interactions energy: -149.843
where: short stacking energy: -111.772
Base-Backbone interact. energy: -1.172
local terms energy: -213.009583
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -71.032
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -0.076
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: 119
Temperature: 1.350000
Total energy: -327.712102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.712102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.712102 (E_RNA)
where:
Base-Base interactions energy: -109.166
where: short stacking energy: -90.837
Base-Backbone interact. energy: -2.094
local terms energy: -216.452633
where:
bonds (distance) C4'-P energy: -61.322
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -2.284
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: 120
Temperature: 0.900000
Total energy: -1407.590101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.590101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.590101 (E_RNA)
where:
Base-Base interactions energy: -970.717
where: short stacking energy: -405.639
Base-Backbone interact. energy: -2.797
local terms energy: -434.076767
where:
bonds (distance) C4'-P energy: -77.531
bonds (distance) P-C4' energy: -78.848
flat angles C4'-P-C4' energy: -90.334
flat angles P-C4'-P energy: -51.731
tors. eta vs tors. theta energy: -135.633
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: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1322.041942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.041942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.041942 (E_RNA)
where:
Base-Base interactions energy: -909.751
where: short stacking energy: -395.451
Base-Backbone interact. energy: 2.178
local terms energy: -414.469300
where:
bonds (distance) C4'-P energy: -74.982
bonds (distance) P-C4' energy: -79.991
flat angles C4'-P-C4' energy: -89.420
flat angles P-C4'-P energy: -57.830
tors. eta vs tors. theta energy: -112.246
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: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1257.453229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.453229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.453229 (E_RNA)
where:
Base-Base interactions energy: -840.615
where: short stacking energy: -387.322
Base-Backbone interact. energy: -0.555
local terms energy: -416.284117
where:
bonds (distance) C4'-P energy: -80.018
bonds (distance) P-C4' energy: -80.035
flat angles C4'-P-C4' energy: -86.042
flat angles P-C4'-P energy: -53.627
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: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1109.320168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.320168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.320168 (E_RNA)
where:
Base-Base interactions energy: -757.534
where: short stacking energy: -299.277
Base-Backbone interact. energy: -1.486
local terms energy: -350.299997
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -80.097
flat angles C4'-P-C4' energy: -70.667
flat angles P-C4'-P energy: -44.066
tors. eta vs tors. theta energy: -87.880
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: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -984.501241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.501241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.501241 (E_RNA)
where:
Base-Base interactions energy: -629.249
where: short stacking energy: -288.089
Base-Backbone interact. energy: -1.103
local terms energy: -354.149559
where:
bonds (distance) C4'-P energy: -73.198
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -75.579
flat angles P-C4'-P energy: -49.810
tors. eta vs tors. theta energy: -89.702
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -938.659040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.659040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.659040 (E_RNA)
where:
Base-Base interactions energy: -615.115
where: short stacking energy: -284.464
Base-Backbone interact. energy: -2.579
local terms energy: -320.964713
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -63.010
flat angles C4'-P-C4' energy: -75.940
flat angles P-C4'-P energy: -55.449
tors. eta vs tors. theta energy: -75.519
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: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -824.981034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.981034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.981034 (E_RNA)
where:
Base-Base interactions energy: -516.441
where: short stacking energy: -224.204
Base-Backbone interact. energy: -2.811
local terms energy: -305.728656
where:
bonds (distance) C4'-P energy: -66.812
bonds (distance) P-C4' energy: -79.501
flat angles C4'-P-C4' energy: -58.933
flat angles P-C4'-P energy: -52.477
tors. eta vs tors. theta energy: -48.006
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -482.833881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.833881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.833881 (E_RNA)
where:
Base-Base interactions energy: -227.232
where: short stacking energy: -136.698
Base-Backbone interact. energy: -1.467
local terms energy: -254.134162
where:
bonds (distance) C4'-P energy: -71.489
bonds (distance) P-C4' energy: -67.934
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -51.003
tors. eta vs tors. theta energy: -11.715
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: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -333.401357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.401357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.401357 (E_RNA)
where:
Base-Base interactions energy: -132.297
where: short stacking energy: -99.276
Base-Backbone interact. energy: -0.338
local terms energy: -200.766319
where:
bonds (distance) C4'-P energy: -61.450
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: 16.054
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: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -346.178176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.178176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.178176 (E_RNA)
where:
Base-Base interactions energy: -153.684
where: short stacking energy: -114.181
Base-Backbone interact. energy: 2.427
local terms energy: -194.920942
where:
bonds (distance) C4'-P energy: -54.871
bonds (distance) P-C4' energy: -69.131
flat angles C4'-P-C4' energy: -50.660
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: 11.649
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1407.497735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.497735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.497735 (E_RNA)
where:
Base-Base interactions energy: -963.666
where: short stacking energy: -412.583
Base-Backbone interact. energy: -0.132
local terms energy: -443.700292
where:
bonds (distance) C4'-P energy: -84.365
bonds (distance) P-C4' energy: -78.751
flat angles C4'-P-C4' energy: -96.980
flat angles P-C4'-P energy: -53.483
tors. eta vs tors. theta energy: -130.121
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: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1307.622538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.622538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.622538 (E_RNA)
where:
Base-Base interactions energy: -882.174
where: short stacking energy: -390.351
Base-Backbone interact. energy: -1.607
local terms energy: -423.841569
where:
bonds (distance) C4'-P energy: -80.841
bonds (distance) P-C4' energy: -75.874
flat angles C4'-P-C4' energy: -82.332
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -122.811
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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1242.579837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.579837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.579837 (E_RNA)
where:
Base-Base interactions energy: -823.389
where: short stacking energy: -378.457
Base-Backbone interact. energy: -1.794
local terms energy: -417.396852
where:
bonds (distance) C4'-P energy: -80.398
bonds (distance) P-C4' energy: -74.391
flat angles C4'-P-C4' energy: -84.957
flat angles P-C4'-P energy: -61.060
tors. eta vs tors. theta energy: -116.590
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: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1121.535289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.535289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.535289 (E_RNA)
where:
Base-Base interactions energy: -740.413
where: short stacking energy: -282.679
Base-Backbone interact. energy: 1.725
local terms energy: -382.848081
where:
bonds (distance) C4'-P energy: -71.134
bonds (distance) P-C4' energy: -90.180
flat angles C4'-P-C4' energy: -78.714
flat angles P-C4'-P energy: -53.778
tors. eta vs tors. theta energy: -89.043
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -971.444114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.444114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.444114 (E_RNA)
where:
Base-Base interactions energy: -604.509
where: short stacking energy: -272.921
Base-Backbone interact. energy: -0.497
local terms energy: -366.438451
where:
bonds (distance) C4'-P energy: -77.233
bonds (distance) P-C4' energy: -73.798
flat angles C4'-P-C4' energy: -83.211
flat angles P-C4'-P energy: -52.196
tors. eta vs tors. theta energy: -80.000
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: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -913.798864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.798864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.798864 (E_RNA)
where:
Base-Base interactions energy: -587.020
where: short stacking energy: -252.368
Base-Backbone interact. energy: -3.777
local terms energy: -323.001734
where:
bonds (distance) C4'-P energy: -76.994
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -78.297
flat angles P-C4'-P energy: -53.404
tors. eta vs tors. theta energy: -56.389
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: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -904.318409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.318409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.318409 (E_RNA)
where:
Base-Base interactions energy: -606.639
where: short stacking energy: -257.993
Base-Backbone interact. energy: -2.388
local terms energy: -295.290756
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -61.159
flat angles C4'-P-C4' energy: -73.321
flat angles P-C4'-P energy: -48.735
tors. eta vs tors. theta energy: -63.673
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: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -497.963107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.963107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.963107 (E_RNA)
where:
Base-Base interactions energy: -237.560
where: short stacking energy: -149.476
Base-Backbone interact. energy: -2.954
local terms energy: -257.448160
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -73.179
flat angles C4'-P-C4' energy: -60.051
flat angles P-C4'-P energy: -42.469
tors. eta vs tors. theta energy: -16.012
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: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -329.097794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.097794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.097794 (E_RNA)
where:
Base-Base interactions energy: -128.366
where: short stacking energy: -108.138
Base-Backbone interact. energy: 2.910
local terms energy: -203.641770
where:
bonds (distance) C4'-P energy: -46.616
bonds (distance) P-C4' energy: -72.765
flat angles C4'-P-C4' energy: -57.105
flat angles P-C4'-P energy: -30.775
tors. eta vs tors. theta energy: 3.619
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: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -308.703305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.703305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.703305 (E_RNA)
where:
Base-Base interactions energy: -102.987
where: short stacking energy: -72.687
Base-Backbone interact. energy: -1.961
local terms energy: -203.755332
where:
bonds (distance) C4'-P energy: -67.114
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: 23.222
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1428.634672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.634672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.634672 (E_RNA)
where:
Base-Base interactions energy: -977.398
where: short stacking energy: -391.303
Base-Backbone interact. energy: -4.430
local terms energy: -446.806421
where:
bonds (distance) C4'-P energy: -83.768
bonds (distance) P-C4' energy: -85.629
flat angles C4'-P-C4' energy: -92.741
flat angles P-C4'-P energy: -59.610
tors. eta vs tors. theta energy: -125.057
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1292.123971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.123971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.123971 (E_RNA)
where:
Base-Base interactions energy: -890.573
where: short stacking energy: -381.014
Base-Backbone interact. energy: -0.708
local terms energy: -400.842986
where:
bonds (distance) C4'-P energy: -72.964
bonds (distance) P-C4' energy: -72.899
flat angles C4'-P-C4' energy: -84.905
flat angles P-C4'-P energy: -56.823
tors. eta vs tors. theta energy: -113.252
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: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1245.235133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.235133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.235133 (E_RNA)
where:
Base-Base interactions energy: -839.340
where: short stacking energy: -359.961
Base-Backbone interact. energy: -0.959
local terms energy: -404.935584
where:
bonds (distance) C4'-P energy: -65.121
bonds (distance) P-C4' energy: -81.643
flat angles C4'-P-C4' energy: -85.068
flat angles P-C4'-P energy: -52.066
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: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1149.170233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.170233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.170233 (E_RNA)
where:
Base-Base interactions energy: -763.170
where: short stacking energy: -331.914
Base-Backbone interact. energy: -3.142
local terms energy: -382.858587
where:
bonds (distance) C4'-P energy: -75.446
bonds (distance) P-C4' energy: -74.013
flat angles C4'-P-C4' energy: -85.310
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -97.568
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: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -987.164594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.164594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.164594 (E_RNA)
where:
Base-Base interactions energy: -617.557
where: short stacking energy: -295.090
Base-Backbone interact. energy: -0.641
local terms energy: -368.966798
where:
bonds (distance) C4'-P energy: -67.053
bonds (distance) P-C4' energy: -74.865
flat angles C4'-P-C4' energy: -79.057
flat angles P-C4'-P energy: -51.180
tors. eta vs tors. theta energy: -96.812
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: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -910.983776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.983776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.983776 (E_RNA)
where:
Base-Base interactions energy: -591.503
where: short stacking energy: -270.590
Base-Backbone interact. energy: -1.900
local terms energy: -317.580420
where:
bonds (distance) C4'-P energy: -61.151
bonds (distance) P-C4' energy: -67.606
flat angles C4'-P-C4' energy: -74.801
flat angles P-C4'-P energy: -52.300
tors. eta vs tors. theta energy: -61.723
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: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -902.771125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.771125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.771125 (E_RNA)
where:
Base-Base interactions energy: -574.217
where: short stacking energy: -245.536
Base-Backbone interact. energy: -2.031
local terms energy: -326.523039
where:
bonds (distance) C4'-P energy: -66.210
bonds (distance) P-C4' energy: -72.506
flat angles C4'-P-C4' energy: -76.374
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: -61.609
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -457.256275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.256275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.256275 (E_RNA)
where:
Base-Base interactions energy: -213.652
where: short stacking energy: -120.772
Base-Backbone interact. energy: 1.139
local terms energy: -244.743429
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -82.335
flat angles C4'-P-C4' energy: -58.096
flat angles P-C4'-P energy: -41.905
tors. eta vs tors. theta energy: -2.228
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -378.067068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.067068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.067068 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -117.764
Base-Backbone interact. energy: 6.292
local terms energy: -226.033993
where:
bonds (distance) C4'-P energy: -62.118
bonds (distance) P-C4' energy: -74.419
flat angles C4'-P-C4' energy: -46.566
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -16.083
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: 122
Temperature: 1.350000
Total energy: -320.012161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.012161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.012161 (E_RNA)
where:
Base-Base interactions energy: -117.874
where: short stacking energy: -110.346
Base-Backbone interact. energy: 2.216
local terms energy: -204.354615
where:
bonds (distance) C4'-P energy: -53.357
bonds (distance) P-C4' energy: -70.173
flat angles C4'-P-C4' energy: -60.407
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: 11.253
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1427.327009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.327009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.327009 (E_RNA)
where:
Base-Base interactions energy: -993.672
where: short stacking energy: -407.276
Base-Backbone interact. energy: -1.119
local terms energy: -432.536387
where:
bonds (distance) C4'-P energy: -79.669
bonds (distance) P-C4' energy: -78.198
flat angles C4'-P-C4' energy: -90.222
flat angles P-C4'-P energy: -63.959
tors. eta vs tors. theta energy: -120.488
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: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1261.082727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.082727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.082727 (E_RNA)
where:
Base-Base interactions energy: -832.595
where: short stacking energy: -354.917
Base-Backbone interact. energy: -1.109
local terms energy: -427.378823
where:
bonds (distance) C4'-P energy: -77.942
bonds (distance) P-C4' energy: -85.907
flat angles C4'-P-C4' energy: -91.659
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -109.112
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: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1246.620705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.620705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.620705 (E_RNA)
where:
Base-Base interactions energy: -818.818
where: short stacking energy: -378.626
Base-Backbone interact. energy: -1.082
local terms energy: -426.720405
where:
bonds (distance) C4'-P energy: -72.981
bonds (distance) P-C4' energy: -79.936
flat angles C4'-P-C4' energy: -85.118
flat angles P-C4'-P energy: -70.536
tors. eta vs tors. theta energy: -118.150
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: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1174.681200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.681200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.681200 (E_RNA)
where:
Base-Base interactions energy: -803.122
where: short stacking energy: -338.156
Base-Backbone interact. energy: -2.369
local terms energy: -369.190059
where:
bonds (distance) C4'-P energy: -88.185
bonds (distance) P-C4' energy: -67.113
flat angles C4'-P-C4' energy: -72.243
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -97.464
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: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -992.212249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.212249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.212249 (E_RNA)
where:
Base-Base interactions energy: -665.931
where: short stacking energy: -273.995
Base-Backbone interact. energy: 0.001
local terms energy: -326.282333
where:
bonds (distance) C4'-P energy: -73.113
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -63.930
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -75.049
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -972.196458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.196458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.196458 (E_RNA)
where:
Base-Base interactions energy: -639.395
where: short stacking energy: -275.849
Base-Backbone interact. energy: 1.390
local terms energy: -334.191918
where:
bonds (distance) C4'-P energy: -74.241
bonds (distance) P-C4' energy: -71.538
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -45.638
tors. eta vs tors. theta energy: -78.974
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: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -899.216508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.216508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.216508 (E_RNA)
where:
Base-Base interactions energy: -594.611
where: short stacking energy: -239.216
Base-Backbone interact. energy: -1.652
local terms energy: -302.953900
where:
bonds (distance) C4'-P energy: -72.638
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -55.872
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -59.447
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: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -472.226657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.226657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.226657 (E_RNA)
where:
Base-Base interactions energy: -217.616
where: short stacking energy: -137.775
Base-Backbone interact. energy: 1.293
local terms energy: -255.904059
where:
bonds (distance) C4'-P energy: -67.372
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -53.747
flat angles P-C4'-P energy: -49.352
tors. eta vs tors. theta energy: -16.875
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: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -353.122974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.122974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.122974 (E_RNA)
where:
Base-Base interactions energy: -138.234
where: short stacking energy: -97.551
Base-Backbone interact. energy: -0.855
local terms energy: -214.033379
where:
bonds (distance) C4'-P energy: -62.305
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -57.525
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: 6.052
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: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -310.857046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.857046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.857046 (E_RNA)
where:
Base-Base interactions energy: -119.784
where: short stacking energy: -105.674
Base-Backbone interact. energy: 1.033
local terms energy: -192.106761
where:
bonds (distance) C4'-P energy: -74.108
bonds (distance) P-C4' energy: -61.935
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: 13.428
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: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1411.855699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.855699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.855699 (E_RNA)
where:
Base-Base interactions energy: -986.268
where: short stacking energy: -398.325
Base-Backbone interact. energy: -0.228
local terms energy: -425.359930
where:
bonds (distance) C4'-P energy: -85.455
bonds (distance) P-C4' energy: -83.466
flat angles C4'-P-C4' energy: -82.888
flat angles P-C4'-P energy: -59.028
tors. eta vs tors. theta energy: -114.523
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: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1304.680522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.680522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.680522 (E_RNA)
where:
Base-Base interactions energy: -891.734
where: short stacking energy: -374.476
Base-Backbone interact. energy: -1.850
local terms energy: -411.097009
where:
bonds (distance) C4'-P energy: -73.669
bonds (distance) P-C4' energy: -83.304
flat angles C4'-P-C4' energy: -86.339
flat angles P-C4'-P energy: -58.669
tors. eta vs tors. theta energy: -109.116
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: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1238.810192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.810192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.810192 (E_RNA)
where:
Base-Base interactions energy: -802.525
where: short stacking energy: -366.493
Base-Backbone interact. energy: -0.479
local terms energy: -435.806796
where:
bonds (distance) C4'-P energy: -76.731
bonds (distance) P-C4' energy: -81.279
flat angles C4'-P-C4' energy: -93.944
flat angles P-C4'-P energy: -66.026
tors. eta vs tors. theta energy: -117.828
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: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1092.542280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.542280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.542280 (E_RNA)
where:
Base-Base interactions energy: -740.308
where: short stacking energy: -329.264
Base-Backbone interact. energy: 3.258
local terms energy: -355.491747
where:
bonds (distance) C4'-P energy: -76.601
bonds (distance) P-C4' energy: -73.090
flat angles C4'-P-C4' energy: -85.678
flat angles P-C4'-P energy: -34.209
tors. eta vs tors. theta energy: -85.914
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: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1019.964638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.964638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.964638 (E_RNA)
where:
Base-Base interactions energy: -665.764
where: short stacking energy: -294.510
Base-Backbone interact. energy: -1.196
local terms energy: -353.004586
where:
bonds (distance) C4'-P energy: -66.441
bonds (distance) P-C4' energy: -64.042
flat angles C4'-P-C4' energy: -77.483
flat angles P-C4'-P energy: -59.773
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: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -996.425170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.425170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.425170 (E_RNA)
where:
Base-Base interactions energy: -659.720
where: short stacking energy: -285.640
Base-Backbone interact. energy: -1.925
local terms energy: -334.779616
where:
bonds (distance) C4'-P energy: -70.824
bonds (distance) P-C4' energy: -72.516
flat angles C4'-P-C4' energy: -77.014
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -74.028
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: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -889.599502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.599502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.599502 (E_RNA)
where:
Base-Base interactions energy: -564.455
where: short stacking energy: -259.954
Base-Backbone interact. energy: -3.570
local terms energy: -321.574015
where:
bonds (distance) C4'-P energy: -65.124
bonds (distance) P-C4' energy: -71.339
flat angles C4'-P-C4' energy: -72.921
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -66.398
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: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -478.135052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.135052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.135052 (E_RNA)
where:
Base-Base interactions energy: -230.260
where: short stacking energy: -120.951
Base-Backbone interact. energy: -1.404
local terms energy: -246.470731
where:
bonds (distance) C4'-P energy: -68.140
bonds (distance) P-C4' energy: -71.729
flat angles C4'-P-C4' energy: -67.047
flat angles P-C4'-P energy: -34.678
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)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -342.206527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.206527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.206527 (E_RNA)
where:
Base-Base interactions energy: -116.023
where: short stacking energy: -102.842
Base-Backbone interact. energy: -2.058
local terms energy: -224.125397
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -55.783
flat angles C4'-P-C4' energy: -77.991
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: 11.523
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: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -315.533902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.533902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.533902 (E_RNA)
where:
Base-Base interactions energy: -108.988
where: short stacking energy: -95.231
Base-Backbone interact. energy: -0.291
local terms energy: -206.254700
where:
bonds (distance) C4'-P energy: -65.354
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -49.150
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: 5.001
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1394.840433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.840433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.840433 (E_RNA)
where:
Base-Base interactions energy: -964.687
where: short stacking energy: -409.596
Base-Backbone interact. energy: -0.938
local terms energy: -429.215204
where:
bonds (distance) C4'-P energy: -79.146
bonds (distance) P-C4' energy: -72.327
flat angles C4'-P-C4' energy: -92.023
flat angles P-C4'-P energy: -57.187
tors. eta vs tors. theta energy: -128.532
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: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1309.244451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.244451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.244451 (E_RNA)
where:
Base-Base interactions energy: -859.479
where: short stacking energy: -402.880
Base-Backbone interact. energy: -0.871
local terms energy: -448.894750
where:
bonds (distance) C4'-P energy: -88.709
bonds (distance) P-C4' energy: -81.364
flat angles C4'-P-C4' energy: -89.086
flat angles P-C4'-P energy: -63.448
tors. eta vs tors. theta energy: -126.287
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: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1249.615958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.615958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.615958 (E_RNA)
where:
Base-Base interactions energy: -848.025
where: short stacking energy: -359.935
Base-Backbone interact. energy: -0.270
local terms energy: -401.321179
where:
bonds (distance) C4'-P energy: -61.217
bonds (distance) P-C4' energy: -86.154
flat angles C4'-P-C4' energy: -83.670
flat angles P-C4'-P energy: -65.123
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: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1127.308113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.308113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.308113 (E_RNA)
where:
Base-Base interactions energy: -739.601
where: short stacking energy: -329.944
Base-Backbone interact. energy: -2.759
local terms energy: -384.947172
where:
bonds (distance) C4'-P energy: -72.066
bonds (distance) P-C4' energy: -85.067
flat angles C4'-P-C4' energy: -82.391
flat angles P-C4'-P energy: -51.720
tors. eta vs tors. theta energy: -93.703
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: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1030.209453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.209453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.209453 (E_RNA)
where:
Base-Base interactions energy: -671.516
where: short stacking energy: -308.716
Base-Backbone interact. energy: -1.936
local terms energy: -356.757877
where:
bonds (distance) C4'-P energy: -64.332
bonds (distance) P-C4' energy: -81.392
flat angles C4'-P-C4' energy: -74.898
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: -79.728
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: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -966.041889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.041889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.041889 (E_RNA)
where:
Base-Base interactions energy: -610.175
where: short stacking energy: -273.308
Base-Backbone interact. energy: -1.142
local terms energy: -354.724436
where:
bonds (distance) C4'-P energy: -78.037
bonds (distance) P-C4' energy: -81.563
flat angles C4'-P-C4' energy: -80.463
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -69.892
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: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -856.027100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.027100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.027100 (E_RNA)
where:
Base-Base interactions energy: -538.080
where: short stacking energy: -220.551
Base-Backbone interact. energy: -0.490
local terms energy: -317.457108
where:
bonds (distance) C4'-P energy: -75.479
bonds (distance) P-C4' energy: -69.500
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -42.437
tors. eta vs tors. theta energy: -65.467
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: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -476.897155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.897155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.897155 (E_RNA)
where:
Base-Base interactions energy: -218.218
where: short stacking energy: -114.193
Base-Backbone interact. energy: 0.482
local terms energy: -259.161078
where:
bonds (distance) C4'-P energy: -64.909
bonds (distance) P-C4' energy: -71.305
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -48.426
tors. eta vs tors. theta energy: -7.727
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: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -358.311638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.311638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.311638 (E_RNA)
where:
Base-Base interactions energy: -150.471
where: short stacking energy: -101.866
Base-Backbone interact. energy: -1.375
local terms energy: -206.465392
where:
bonds (distance) C4'-P energy: -62.835
bonds (distance) P-C4' energy: -54.293
flat angles C4'-P-C4' energy: -60.642
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -0.060
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: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -309.960876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.960876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.960876 (E_RNA)
where:
Base-Base interactions energy: -94.733
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.084
local terms energy: -215.143218
where:
bonds (distance) C4'-P energy: -75.980
bonds (distance) P-C4' energy: -72.100
flat angles C4'-P-C4' energy: -48.111
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: 27.517
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: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1419.080393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.080393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.080393 (E_RNA)
where:
Base-Base interactions energy: -978.013
where: short stacking energy: -396.479
Base-Backbone interact. energy: -0.692
local terms energy: -440.375012
where:
bonds (distance) C4'-P energy: -80.808
bonds (distance) P-C4' energy: -84.910
flat angles C4'-P-C4' energy: -90.750
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -123.281
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1277.500142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.500142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.500142 (E_RNA)
where:
Base-Base interactions energy: -833.188
where: short stacking energy: -382.509
Base-Backbone interact. energy: -1.062
local terms energy: -443.249545
where:
bonds (distance) C4'-P energy: -74.991
bonds (distance) P-C4' energy: -77.514
flat angles C4'-P-C4' energy: -93.264
flat angles P-C4'-P energy: -69.682
tors. eta vs tors. theta energy: -127.798
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: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1269.592807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.592807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.592807 (E_RNA)
where:
Base-Base interactions energy: -863.642
where: short stacking energy: -368.311
Base-Backbone interact. energy: 0.271
local terms energy: -406.222410
where:
bonds (distance) C4'-P energy: -76.587
bonds (distance) P-C4' energy: -75.631
flat angles C4'-P-C4' energy: -85.524
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -112.920
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1103.258090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.258090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.258090 (E_RNA)
where:
Base-Base interactions energy: -743.749
where: short stacking energy: -307.239
Base-Backbone interact. energy: -2.531
local terms energy: -356.978262
where:
bonds (distance) C4'-P energy: -69.070
bonds (distance) P-C4' energy: -75.138
flat angles C4'-P-C4' energy: -80.259
flat angles P-C4'-P energy: -48.782
tors. eta vs tors. theta energy: -83.730
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: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1057.581837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.581837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.581837 (E_RNA)
where:
Base-Base interactions energy: -680.949
where: short stacking energy: -304.926
Base-Backbone interact. energy: -0.958
local terms energy: -375.674292
where:
bonds (distance) C4'-P energy: -75.845
bonds (distance) P-C4' energy: -66.093
flat angles C4'-P-C4' energy: -76.157
flat angles P-C4'-P energy: -61.239
tors. eta vs tors. theta energy: -96.340
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: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -996.126408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.126408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.126408 (E_RNA)
where:
Base-Base interactions energy: -652.978
where: short stacking energy: -269.787
Base-Backbone interact. energy: -0.979
local terms energy: -342.169382
where:
bonds (distance) C4'-P energy: -67.379
bonds (distance) P-C4' energy: -74.687
flat angles C4'-P-C4' energy: -78.496
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -81.693
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: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -831.642588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.642588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.642588 (E_RNA)
where:
Base-Base interactions energy: -493.450
where: short stacking energy: -223.132
Base-Backbone interact. energy: 0.164
local terms energy: -338.356689
where:
bonds (distance) C4'-P energy: -75.644
bonds (distance) P-C4' energy: -84.024
flat angles C4'-P-C4' energy: -70.027
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -54.623
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: 126
Temperature: 1.250000
Total energy: -506.365458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.365458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.365458 (E_RNA)
where:
Base-Base interactions energy: -243.688
where: short stacking energy: -158.336
Base-Backbone interact. energy: 0.946
local terms energy: -263.624295
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -75.801
flat angles C4'-P-C4' energy: -69.719
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -20.283
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: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -345.927595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.927595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.927595 (E_RNA)
where:
Base-Base interactions energy: -129.268
where: short stacking energy: -120.695
Base-Backbone interact. energy: 3.914
local terms energy: -220.573787
where:
bonds (distance) C4'-P energy: -43.753
bonds (distance) P-C4' energy: -61.607
flat angles C4'-P-C4' energy: -63.967
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -18.944
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -311.941912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.941912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.941912 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -96.884
Base-Backbone interact. energy: -1.102
local terms energy: -196.470959
where:
bonds (distance) C4'-P energy: -50.821
bonds (distance) P-C4' energy: -76.151
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: 17.123
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: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1390.472629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.472629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.472629 (E_RNA)
where:
Base-Base interactions energy: -941.547
where: short stacking energy: -400.851
Base-Backbone interact. energy: -3.057
local terms energy: -445.868243
where:
bonds (distance) C4'-P energy: -85.081
bonds (distance) P-C4' energy: -78.460
flat angles C4'-P-C4' energy: -92.976
flat angles P-C4'-P energy: -64.260
tors. eta vs tors. theta energy: -125.092
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: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1310.075065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.075065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.075065 (E_RNA)
where:
Base-Base interactions energy: -894.224
where: short stacking energy: -379.605
Base-Backbone interact. energy: -2.963
local terms energy: -412.887996
where:
bonds (distance) C4'-P energy: -72.050
bonds (distance) P-C4' energy: -79.185
flat angles C4'-P-C4' energy: -80.908
flat angles P-C4'-P energy: -66.788
tors. eta vs tors. theta energy: -113.957
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: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1261.058742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.058742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.058742 (E_RNA)
where:
Base-Base interactions energy: -839.399
where: short stacking energy: -393.880
Base-Backbone interact. energy: 0.896
local terms energy: -422.556003
where:
bonds (distance) C4'-P energy: -65.577
bonds (distance) P-C4' energy: -80.809
flat angles C4'-P-C4' energy: -86.658
flat angles P-C4'-P energy: -64.256
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: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1112.655096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.655096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.655096 (E_RNA)
where:
Base-Base interactions energy: -758.376
where: short stacking energy: -320.960
Base-Backbone interact. energy: -2.956
local terms energy: -351.323183
where:
bonds (distance) C4'-P energy: -71.765
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -75.454
flat angles P-C4'-P energy: -47.699
tors. eta vs tors. theta energy: -86.437
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: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1042.926256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.926256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.926256 (E_RNA)
where:
Base-Base interactions energy: -672.922
where: short stacking energy: -305.987
Base-Backbone interact. energy: -0.639
local terms energy: -369.364903
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -64.219
flat angles C4'-P-C4' energy: -80.779
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -94.035
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: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -959.283636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.283636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.283636 (E_RNA)
where:
Base-Base interactions energy: -634.857
where: short stacking energy: -263.198
Base-Backbone interact. energy: -2.763
local terms energy: -321.663495
where:
bonds (distance) C4'-P energy: -63.434
bonds (distance) P-C4' energy: -78.838
flat angles C4'-P-C4' energy: -74.308
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -71.760
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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -858.788190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.788190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.788190 (E_RNA)
where:
Base-Base interactions energy: -559.508
where: short stacking energy: -231.687
Base-Backbone interact. energy: 0.055
local terms energy: -299.334729
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -62.861
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -51.486
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: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -469.462016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.462016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.462016 (E_RNA)
where:
Base-Base interactions energy: -217.612
where: short stacking energy: -117.305
Base-Backbone interact. energy: -2.642
local terms energy: -249.207729
where:
bonds (distance) C4'-P energy: -68.266
bonds (distance) P-C4' energy: -68.553
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: 1.155
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: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -339.344214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.344214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.344214 (E_RNA)
where:
Base-Base interactions energy: -116.557
where: short stacking energy: -104.069
Base-Backbone interact. energy: -1.573
local terms energy: -221.214150
where:
bonds (distance) C4'-P energy: -52.490
bonds (distance) P-C4' energy: -68.804
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -4.379
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: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -352.576337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.576337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.576337 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -99.843
Base-Backbone interact. energy: 1.428
local terms energy: -229.423290
where:
bonds (distance) C4'-P energy: -77.774
bonds (distance) P-C4' energy: -71.839
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: 8.082
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: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1396.577687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.577687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.577687 (E_RNA)
where:
Base-Base interactions energy: -970.771
where: short stacking energy: -391.521
Base-Backbone interact. energy: -1.680
local terms energy: -424.126606
where:
bonds (distance) C4'-P energy: -66.125
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -84.335
flat angles P-C4'-P energy: -62.188
tors. eta vs tors. theta energy: -123.952
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: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1313.894903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.894903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.894903 (E_RNA)
where:
Base-Base interactions energy: -897.281
where: short stacking energy: -373.335
Base-Backbone interact. energy: -0.814
local terms energy: -415.799660
where:
bonds (distance) C4'-P energy: -80.111
bonds (distance) P-C4' energy: -78.610
flat angles C4'-P-C4' energy: -90.463
flat angles P-C4'-P energy: -61.451
tors. eta vs tors. theta energy: -105.164
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: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1228.939250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.939250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.939250 (E_RNA)
where:
Base-Base interactions energy: -816.987
where: short stacking energy: -370.998
Base-Backbone interact. energy: -0.101
local terms energy: -411.851433
where:
bonds (distance) C4'-P energy: -72.050
bonds (distance) P-C4' energy: -76.137
flat angles C4'-P-C4' energy: -75.738
flat angles P-C4'-P energy: -66.402
tors. eta vs tors. theta energy: -121.525
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: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1110.752185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.752185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.752185 (E_RNA)
where:
Base-Base interactions energy: -757.364
where: short stacking energy: -322.925
Base-Backbone interact. energy: -1.566
local terms energy: -351.822631
where:
bonds (distance) C4'-P energy: -62.131
bonds (distance) P-C4' energy: -75.682
flat angles C4'-P-C4' energy: -73.051
flat angles P-C4'-P energy: -52.840
tors. eta vs tors. theta energy: -88.119
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: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1016.058357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.058357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.058357 (E_RNA)
where:
Base-Base interactions energy: -655.651
where: short stacking energy: -280.645
Base-Backbone interact. energy: -0.899
local terms energy: -359.508642
where:
bonds (distance) C4'-P energy: -70.441
bonds (distance) P-C4' energy: -62.115
flat angles C4'-P-C4' energy: -79.788
flat angles P-C4'-P energy: -59.021
tors. eta vs tors. theta energy: -88.143
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: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -944.676302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.676302 (E_RNA)
where:
Base-Base interactions energy: -617.797
where: short stacking energy: -268.039
Base-Backbone interact. energy: 0.426
local terms energy: -327.305619
where:
bonds (distance) C4'-P energy: -66.511
bonds (distance) P-C4' energy: -86.345
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -54.898
tors. eta vs tors. theta energy: -60.429
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: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -831.290327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.290327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.290327 (E_RNA)
where:
Base-Base interactions energy: -513.430
where: short stacking energy: -230.942
Base-Backbone interact. energy: 0.328
local terms energy: -318.188944
where:
bonds (distance) C4'-P energy: -68.986
bonds (distance) P-C4' energy: -77.628
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -48.184
tors. eta vs tors. theta energy: -56.179
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -479.918010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.918010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.918010 (E_RNA)
where:
Base-Base interactions energy: -211.278
where: short stacking energy: -141.513
Base-Backbone interact. energy: -0.095
local terms energy: -268.545926
where:
bonds (distance) C4'-P energy: -73.297
bonds (distance) P-C4' energy: -72.697
flat angles C4'-P-C4' energy: -60.063
flat angles P-C4'-P energy: -44.362
tors. eta vs tors. theta energy: -18.128
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: 128
Temperature: 1.300000
Total energy: -345.787341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.787341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.787341 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -102.561
Base-Backbone interact. energy: 1.065
local terms energy: -232.306536
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -74.198
flat angles C4'-P-C4' energy: -69.821
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -1.890
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: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -312.079524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.079524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.079524 (E_RNA)
where:
Base-Base interactions energy: -105.894
where: short stacking energy: -95.382
Base-Backbone interact. energy: -2.045
local terms energy: -204.140441
where:
bonds (distance) C4'-P energy: -65.520
bonds (distance) P-C4' energy: -77.134
flat angles C4'-P-C4' energy: -41.336
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: 1.981
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: 129
Temperature: 0.900000
Total energy: -1414.823158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.823158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.823158 (E_RNA)
where:
Base-Base interactions energy: -981.251
where: short stacking energy: -401.488
Base-Backbone interact. energy: 1.737
local terms energy: -435.309591
where:
bonds (distance) C4'-P energy: -72.560
bonds (distance) P-C4' energy: -82.141
flat angles C4'-P-C4' energy: -89.426
flat angles P-C4'-P energy: -60.182
tors. eta vs tors. theta energy: -131.001
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: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1328.453042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.453042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.453042 (E_RNA)
where:
Base-Base interactions energy: -896.805
where: short stacking energy: -383.881
Base-Backbone interact. energy: 0.569
local terms energy: -432.217249
where:
bonds (distance) C4'-P energy: -69.320
bonds (distance) P-C4' energy: -82.653
flat angles C4'-P-C4' energy: -94.301
flat angles P-C4'-P energy: -69.475
tors. eta vs tors. theta energy: -116.468
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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1234.166518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.166518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.166518 (E_RNA)
where:
Base-Base interactions energy: -829.825
where: short stacking energy: -372.712
Base-Backbone interact. energy: -0.308
local terms energy: -404.033732
where:
bonds (distance) C4'-P energy: -78.938
bonds (distance) P-C4' energy: -67.508
flat angles C4'-P-C4' energy: -76.039
flat angles P-C4'-P energy: -63.612
tors. eta vs tors. theta energy: -117.937
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1075.776771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.776771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.776771 (E_RNA)
where:
Base-Base interactions energy: -721.193
where: short stacking energy: -344.652
Base-Backbone interact. energy: -2.624
local terms energy: -351.959825
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -60.631
flat angles C4'-P-C4' energy: -80.821
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -100.061
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: 129
Temperature: 1.100000
Total energy: -1093.232351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.232351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.232351 (E_RNA)
where:
Base-Base interactions energy: -731.762
where: short stacking energy: -293.107
Base-Backbone interact. energy: 1.785
local terms energy: -363.254758
where:
bonds (distance) C4'-P energy: -79.375
bonds (distance) P-C4' energy: -62.655
flat angles C4'-P-C4' energy: -79.880
flat angles P-C4'-P energy: -58.036
tors. eta vs tors. theta energy: -83.309
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: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -967.186840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.186840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.186840 (E_RNA)
where:
Base-Base interactions energy: -623.778
where: short stacking energy: -262.259
Base-Backbone interact. energy: -1.460
local terms energy: -341.948500
where:
bonds (distance) C4'-P energy: -68.780
bonds (distance) P-C4' energy: -78.106
flat angles C4'-P-C4' energy: -76.369
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -72.157
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: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -894.093937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.093937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.093937 (E_RNA)
where:
Base-Base interactions energy: -570.327
where: short stacking energy: -249.607
Base-Backbone interact. energy: -1.251
local terms energy: -322.516380
where:
bonds (distance) C4'-P energy: -58.961
bonds (distance) P-C4' energy: -84.740
flat angles C4'-P-C4' energy: -70.948
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -64.149
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: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -447.215550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.215550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.215550 (E_RNA)
where:
Base-Base interactions energy: -211.171
where: short stacking energy: -123.110
Base-Backbone interact. energy: -1.399
local terms energy: -234.645407
where:
bonds (distance) C4'-P energy: -74.588
bonds (distance) P-C4' energy: -55.399
flat angles C4'-P-C4' energy: -71.445
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: -0.597
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: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -352.315081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.315081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.315081 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -102.397
Base-Backbone interact. energy: -0.287
local terms energy: -221.816877
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -60.576
flat angles C4'-P-C4' energy: -66.913
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -0.152
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: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -316.472652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.472652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.472652 (E_RNA)
where:
Base-Base interactions energy: -110.616
where: short stacking energy: -80.599
Base-Backbone interact. energy: -0.565
local terms energy: -205.291161
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -66.539
flat angles C4'-P-C4' energy: -53.401
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: 8.353
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: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1417.224711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.224711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.224711 (E_RNA)
where:
Base-Base interactions energy: -968.516
where: short stacking energy: -389.683
Base-Backbone interact. energy: -0.456
local terms energy: -448.252803
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -93.018
flat angles C4'-P-C4' energy: -100.734
flat angles P-C4'-P energy: -52.775
tors. eta vs tors. theta energy: -131.369
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: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1311.901760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.901760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.901760 (E_RNA)
where:
Base-Base interactions energy: -886.240
where: short stacking energy: -385.514
Base-Backbone interact. energy: 0.165
local terms energy: -425.826490
where:
bonds (distance) C4'-P energy: -82.055
bonds (distance) P-C4' energy: -82.084
flat angles C4'-P-C4' energy: -75.873
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -122.827
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: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1234.631984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.631984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.631984 (E_RNA)
where:
Base-Base interactions energy: -812.478
where: short stacking energy: -383.770
Base-Backbone interact. energy: 0.639
local terms energy: -422.793523
where:
bonds (distance) C4'-P energy: -78.386
bonds (distance) P-C4' energy: -72.039
flat angles C4'-P-C4' energy: -94.051
flat angles P-C4'-P energy: -62.886
tors. eta vs tors. theta energy: -115.431
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: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1067.070420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.070420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.070420 (E_RNA)
where:
Base-Base interactions energy: -677.258
where: short stacking energy: -319.994
Base-Backbone interact. energy: -0.858
local terms energy: -388.954248
where:
bonds (distance) C4'-P energy: -71.608
bonds (distance) P-C4' energy: -77.647
flat angles C4'-P-C4' energy: -79.323
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -96.729
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: 130
Temperature: 1.100000
Total energy: -1072.684165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.684165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.684165 (E_RNA)
where:
Base-Base interactions energy: -733.033
where: short stacking energy: -295.741
Base-Backbone interact. energy: -1.906
local terms energy: -337.745426
where:
bonds (distance) C4'-P energy: -70.276
bonds (distance) P-C4' energy: -70.187
flat angles C4'-P-C4' energy: -67.244
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: -83.624
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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -940.166345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.166345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.166345 (E_RNA)
where:
Base-Base interactions energy: -622.649
where: short stacking energy: -266.241
Base-Backbone interact. energy: 0.918
local terms energy: -318.434760
where:
bonds (distance) C4'-P energy: -70.702
bonds (distance) P-C4' energy: -65.772
flat angles C4'-P-C4' energy: -80.347
flat angles P-C4'-P energy: -37.385
tors. eta vs tors. theta energy: -64.229
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: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -860.335755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.335755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.335755 (E_RNA)
where:
Base-Base interactions energy: -532.615
where: short stacking energy: -238.355
Base-Backbone interact. energy: -2.253
local terms energy: -325.467883
where:
bonds (distance) C4'-P energy: -67.937
bonds (distance) P-C4' energy: -69.499
flat angles C4'-P-C4' energy: -78.548
flat angles P-C4'-P energy: -41.919
tors. eta vs tors. theta energy: -67.565
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: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -435.734545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.734545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.734545 (E_RNA)
where:
Base-Base interactions energy: -195.212
where: short stacking energy: -117.173
Base-Backbone interact. energy: -0.450
local terms energy: -240.072243
where:
bonds (distance) C4'-P energy: -67.274
bonds (distance) P-C4' energy: -73.537
flat angles C4'-P-C4' energy: -65.358
flat angles P-C4'-P energy: -38.564
tors. eta vs tors. theta energy: 4.662
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: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -322.304635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.304635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.304635 (E_RNA)
where:
Base-Base interactions energy: -97.330
where: short stacking energy: -75.993
Base-Backbone interact. energy: -0.864
local terms energy: -224.110577
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -74.115
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -50.254
tors. eta vs tors. theta energy: 10.154
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: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -302.719123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.719123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.719123 (E_RNA)
where:
Base-Base interactions energy: -111.866
where: short stacking energy: -87.665
Base-Backbone interact. energy: -2.602
local terms energy: -188.251161
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -66.120
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: 15.708
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: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1405.990003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.990003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.990003 (E_RNA)
where:
Base-Base interactions energy: -968.009
where: short stacking energy: -402.251
Base-Backbone interact. energy: -3.632
local terms energy: -434.349255
where:
bonds (distance) C4'-P energy: -86.367
bonds (distance) P-C4' energy: -76.851
flat angles C4'-P-C4' energy: -91.600
flat angles P-C4'-P energy: -55.600
tors. eta vs tors. theta energy: -123.931
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: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1304.614162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.614162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.614162 (E_RNA)
where:
Base-Base interactions energy: -865.340
where: short stacking energy: -355.210
Base-Backbone interact. energy: -0.603
local terms energy: -438.671514
where:
bonds (distance) C4'-P energy: -85.861
bonds (distance) P-C4' energy: -85.305
flat angles C4'-P-C4' energy: -94.209
flat angles P-C4'-P energy: -65.117
tors. eta vs tors. theta energy: -108.179
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: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1221.958770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.958770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.958770 (E_RNA)
where:
Base-Base interactions energy: -803.813
where: short stacking energy: -356.348
Base-Backbone interact. energy: -0.908
local terms energy: -417.238051
where:
bonds (distance) C4'-P energy: -73.268
bonds (distance) P-C4' energy: -85.949
flat angles C4'-P-C4' energy: -85.187
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: -118.435
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: 131
Temperature: 1.050000
Total energy: -1134.709416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.709416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.709416 (E_RNA)
where:
Base-Base interactions energy: -735.520
where: short stacking energy: -311.191
Base-Backbone interact. energy: -1.585
local terms energy: -397.604492
where:
bonds (distance) C4'-P energy: -80.413
bonds (distance) P-C4' energy: -82.429
flat angles C4'-P-C4' energy: -84.868
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -99.324
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: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1044.028411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.028411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.028411 (E_RNA)
where:
Base-Base interactions energy: -683.289
where: short stacking energy: -294.716
Base-Backbone interact. energy: -0.518
local terms energy: -360.221694
where:
bonds (distance) C4'-P energy: -63.653
bonds (distance) P-C4' energy: -81.373
flat angles C4'-P-C4' energy: -82.491
flat angles P-C4'-P energy: -49.828
tors. eta vs tors. theta energy: -82.876
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: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -900.974690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.974690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.974690 (E_RNA)
where:
Base-Base interactions energy: -602.360
where: short stacking energy: -255.365
Base-Backbone interact. energy: -0.440
local terms energy: -298.174417
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -63.617
flat angles C4'-P-C4' energy: -68.273
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -63.531
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: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -862.077968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.077968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.077968 (E_RNA)
where:
Base-Base interactions energy: -569.323
where: short stacking energy: -247.929
Base-Backbone interact. energy: 0.102
local terms energy: -292.857654
where:
bonds (distance) C4'-P energy: -65.226
bonds (distance) P-C4' energy: -69.051
flat angles C4'-P-C4' energy: -69.924
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -59.778
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: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -573.452788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.452788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.452788 (E_RNA)
where:
Base-Base interactions energy: -310.940
where: short stacking energy: -188.420
Base-Backbone interact. energy: 1.038
local terms energy: -263.550950
where:
bonds (distance) C4'-P energy: -67.096
bonds (distance) P-C4' energy: -71.051
flat angles C4'-P-C4' energy: -62.859
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -32.232
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: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -339.401692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.401692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.401692 (E_RNA)
where:
Base-Base interactions energy: -129.624
where: short stacking energy: -105.113
Base-Backbone interact. energy: 0.168
local terms energy: -209.946048
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -58.025
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: 1.999
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: 131
Temperature: 1.350000
Total energy: -315.832525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.832525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.832525 (E_RNA)
where:
Base-Base interactions energy: -119.317
where: short stacking energy: -86.224
Base-Backbone interact. energy: 4.155
local terms energy: -200.670748
where:
bonds (distance) C4'-P energy: -47.104
bonds (distance) P-C4' energy: -72.273
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -35.265
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: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1416.103432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.103432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.103432 (E_RNA)
where:
Base-Base interactions energy: -974.775
where: short stacking energy: -396.156
Base-Backbone interact. energy: -1.525
local terms energy: -439.803108
where:
bonds (distance) C4'-P energy: -86.656
bonds (distance) P-C4' energy: -85.639
flat angles C4'-P-C4' energy: -91.962
flat angles P-C4'-P energy: -49.202
tors. eta vs tors. theta energy: -126.344
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: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1312.541054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.541054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.541054 (E_RNA)
where:
Base-Base interactions energy: -898.858
where: short stacking energy: -387.746
Base-Backbone interact. energy: -1.762
local terms energy: -411.920985
where:
bonds (distance) C4'-P energy: -77.529
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -80.893
flat angles P-C4'-P energy: -59.721
tors. eta vs tors. theta energy: -117.994
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1229.392108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.392108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.392108 (E_RNA)
where:
Base-Base interactions energy: -827.366
where: short stacking energy: -351.786
Base-Backbone interact. energy: -0.105
local terms energy: -401.921596
where:
bonds (distance) C4'-P energy: -75.143
bonds (distance) P-C4' energy: -83.206
flat angles C4'-P-C4' energy: -78.269
flat angles P-C4'-P energy: -53.222
tors. eta vs tors. theta energy: -112.082
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: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1162.696254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.696254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.696254 (E_RNA)
where:
Base-Base interactions energy: -769.266
where: short stacking energy: -339.849
Base-Backbone interact. energy: -1.277
local terms energy: -392.152994
where:
bonds (distance) C4'-P energy: -74.928
bonds (distance) P-C4' energy: -69.402
flat angles C4'-P-C4' energy: -89.312
flat angles P-C4'-P energy: -58.947
tors. eta vs tors. theta energy: -99.565
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: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -990.418074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.418074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.418074 (E_RNA)
where:
Base-Base interactions energy: -639.391
where: short stacking energy: -307.701
Base-Backbone interact. energy: -0.996
local terms energy: -350.030981
where:
bonds (distance) C4'-P energy: -64.635
bonds (distance) P-C4' energy: -67.648
flat angles C4'-P-C4' energy: -80.187
flat angles P-C4'-P energy: -57.063
tors. eta vs tors. theta energy: -80.498
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: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -944.231733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.231733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.231733 (E_RNA)
where:
Base-Base interactions energy: -596.702
where: short stacking energy: -261.075
Base-Backbone interact. energy: -2.182
local terms energy: -345.347692
where:
bonds (distance) C4'-P energy: -73.781
bonds (distance) P-C4' energy: -76.085
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -47.862
tors. eta vs tors. theta energy: -71.903
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: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -866.769152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.769152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.769152 (E_RNA)
where:
Base-Base interactions energy: -564.185
where: short stacking energy: -221.022
Base-Backbone interact. energy: -1.518
local terms energy: -301.066593
where:
bonds (distance) C4'-P energy: -61.749
bonds (distance) P-C4' energy: -77.564
flat angles C4'-P-C4' energy: -70.485
flat angles P-C4'-P energy: -47.208
tors. eta vs tors. theta energy: -44.060
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: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -545.254891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.254891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.254891 (E_RNA)
where:
Base-Base interactions energy: -293.510
where: short stacking energy: -174.185
Base-Backbone interact. energy: -1.055
local terms energy: -250.689668
where:
bonds (distance) C4'-P energy: -61.337
bonds (distance) P-C4' energy: -70.333
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -45.474
tors. eta vs tors. theta energy: -15.161
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: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -339.912253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.912253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.912253 (E_RNA)
where:
Base-Base interactions energy: -112.605
where: short stacking energy: -89.176
Base-Backbone interact. energy: 0.490
local terms energy: -227.797187
where:
bonds (distance) C4'-P energy: -71.464
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: 0.105
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -302.195301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.195301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.195301 (E_RNA)
where:
Base-Base interactions energy: -104.106
where: short stacking energy: -78.973
Base-Backbone interact. energy: 0.160
local terms energy: -198.249324
where:
bonds (distance) C4'-P energy: -53.045
bonds (distance) P-C4' energy: -78.688
flat angles C4'-P-C4' energy: -50.971
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: 11.606
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1429.256830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.256830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.256830 (E_RNA)
where:
Base-Base interactions energy: -989.848
where: short stacking energy: -416.534
Base-Backbone interact. energy: 2.061
local terms energy: -441.470601
where:
bonds (distance) C4'-P energy: -80.939
bonds (distance) P-C4' energy: -86.632
flat angles C4'-P-C4' energy: -90.395
flat angles P-C4'-P energy: -52.797
tors. eta vs tors. theta energy: -130.708
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: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1310.139256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.139256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.139256 (E_RNA)
where:
Base-Base interactions energy: -906.784
where: short stacking energy: -393.702
Base-Backbone interact. energy: -1.285
local terms energy: -402.069388
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -80.505
flat angles C4'-P-C4' energy: -82.180
flat angles P-C4'-P energy: -64.592
tors. eta vs tors. theta energy: -110.890
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: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1240.347925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.347925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.347925 (E_RNA)
where:
Base-Base interactions energy: -854.392
where: short stacking energy: -366.629
Base-Backbone interact. energy: 0.204
local terms energy: -386.159420
where:
bonds (distance) C4'-P energy: -73.224
bonds (distance) P-C4' energy: -76.040
flat angles C4'-P-C4' energy: -77.791
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: -106.588
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: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1125.151298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.151298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.151298 (E_RNA)
where:
Base-Base interactions energy: -745.008
where: short stacking energy: -321.331
Base-Backbone interact. energy: -2.597
local terms energy: -377.546199
where:
bonds (distance) C4'-P energy: -72.187
bonds (distance) P-C4' energy: -73.055
flat angles C4'-P-C4' energy: -77.629
flat angles P-C4'-P energy: -56.314
tors. eta vs tors. theta energy: -98.362
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: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1008.735498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.735498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.735498 (E_RNA)
where:
Base-Base interactions energy: -639.593
where: short stacking energy: -283.161
Base-Backbone interact. energy: -1.615
local terms energy: -367.527561
where:
bonds (distance) C4'-P energy: -68.219
bonds (distance) P-C4' energy: -86.326
flat angles C4'-P-C4' energy: -87.713
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -78.393
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: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -972.602930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.602930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.602930 (E_RNA)
where:
Base-Base interactions energy: -619.137
where: short stacking energy: -264.650
Base-Backbone interact. energy: -1.361
local terms energy: -352.104995
where:
bonds (distance) C4'-P energy: -66.225
bonds (distance) P-C4' energy: -70.246
flat angles C4'-P-C4' energy: -79.330
flat angles P-C4'-P energy: -56.672
tors. eta vs tors. theta energy: -79.632
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -775.899741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.899741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.899741 (E_RNA)
where:
Base-Base interactions energy: -506.301
where: short stacking energy: -208.632
Base-Backbone interact. energy: -1.978
local terms energy: -267.620502
where:
bonds (distance) C4'-P energy: -55.034
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -76.668
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -36.466
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: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -545.653253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.653253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.653253 (E_RNA)
where:
Base-Base interactions energy: -279.114
where: short stacking energy: -171.554
Base-Backbone interact. energy: -1.471
local terms energy: -265.068869
where:
bonds (distance) C4'-P energy: -82.230
bonds (distance) P-C4' energy: -77.095
flat angles C4'-P-C4' energy: -47.160
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -29.561
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: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -382.920981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.920981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.920981 (E_RNA)
where:
Base-Base interactions energy: -158.691
where: short stacking energy: -121.338
Base-Backbone interact. energy: 3.777
local terms energy: -228.006564
where:
bonds (distance) C4'-P energy: -58.212
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -66.373
flat angles P-C4'-P energy: -40.375
tors. eta vs tors. theta energy: 1.266
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -310.104802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.104802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.104802 (E_RNA)
where:
Base-Base interactions energy: -107.230
where: short stacking energy: -83.792
Base-Backbone interact. energy: -3.317
local terms energy: -199.558283
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -60.001
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: 9.036
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: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1407.951186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.951186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.951186 (E_RNA)
where:
Base-Base interactions energy: -977.377
where: short stacking energy: -405.939
Base-Backbone interact. energy: -1.164
local terms energy: -429.409717
where:
bonds (distance) C4'-P energy: -77.119
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -90.491
flat angles P-C4'-P energy: -59.790
tors. eta vs tors. theta energy: -129.849
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: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1311.746986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.746986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.746986 (E_RNA)
where:
Base-Base interactions energy: -888.044
where: short stacking energy: -367.842
Base-Backbone interact. energy: 0.154
local terms energy: -423.856934
where:
bonds (distance) C4'-P energy: -81.778
bonds (distance) P-C4' energy: -82.033
flat angles C4'-P-C4' energy: -87.212
flat angles P-C4'-P energy: -62.512
tors. eta vs tors. theta energy: -110.323
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: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1230.751817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.751817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.751817 (E_RNA)
where:
Base-Base interactions energy: -824.841
where: short stacking energy: -378.030
Base-Backbone interact. energy: 0.113
local terms energy: -406.024379
where:
bonds (distance) C4'-P energy: -76.045
bonds (distance) P-C4' energy: -73.874
flat angles C4'-P-C4' energy: -88.365
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -117.470
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: 134
Temperature: 1.050000
Total energy: -1105.112083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.112083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.112083 (E_RNA)
where:
Base-Base interactions energy: -730.621
where: short stacking energy: -310.629
Base-Backbone interact. energy: 1.819
local terms energy: -376.310062
where:
bonds (distance) C4'-P energy: -68.396
bonds (distance) P-C4' energy: -77.039
flat angles C4'-P-C4' energy: -84.864
flat angles P-C4'-P energy: -48.146
tors. eta vs tors. theta energy: -97.865
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: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1043.378628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.378628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.378628 (E_RNA)
where:
Base-Base interactions energy: -657.587
where: short stacking energy: -301.738
Base-Backbone interact. energy: -0.503
local terms energy: -385.288159
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -81.424
flat angles C4'-P-C4' energy: -88.056
flat angles P-C4'-P energy: -57.380
tors. eta vs tors. theta energy: -96.469
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: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -984.298153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.298153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.298153 (E_RNA)
where:
Base-Base interactions energy: -657.082
where: short stacking energy: -283.801
Base-Backbone interact. energy: -1.760
local terms energy: -325.455569
where:
bonds (distance) C4'-P energy: -74.032
bonds (distance) P-C4' energy: -70.435
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -73.826
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: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -812.907531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.907531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.907531 (E_RNA)
where:
Base-Base interactions energy: -510.576
where: short stacking energy: -240.178
Base-Backbone interact. energy: -1.468
local terms energy: -300.862952
where:
bonds (distance) C4'-P energy: -60.949
bonds (distance) P-C4' energy: -68.089
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -59.440
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: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -555.981784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.981784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.981784 (E_RNA)
where:
Base-Base interactions energy: -269.194
where: short stacking energy: -136.285
Base-Backbone interact. energy: 0.749
local terms energy: -287.537299
where:
bonds (distance) C4'-P energy: -73.647
bonds (distance) P-C4' energy: -78.656
flat angles C4'-P-C4' energy: -68.569
flat angles P-C4'-P energy: -42.054
tors. eta vs tors. theta energy: -24.611
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: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -392.978678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.978678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.978678 (E_RNA)
where:
Base-Base interactions energy: -200.894
where: short stacking energy: -108.543
Base-Backbone interact. energy: -1.378
local terms energy: -190.707009
where:
bonds (distance) C4'-P energy: -53.524
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -30.801
flat angles P-C4'-P energy: -35.286
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: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -325.763599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.763599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.763599 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -118.024
Base-Backbone interact. energy: 3.732
local terms energy: -187.631638
where:
bonds (distance) C4'-P energy: -45.150
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -50.803
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: 8.947
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: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1410.135488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.135488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.135488 (E_RNA)
where:
Base-Base interactions energy: -969.814
where: short stacking energy: -406.767
Base-Backbone interact. energy: -2.077
local terms energy: -438.244937
where:
bonds (distance) C4'-P energy: -78.608
bonds (distance) P-C4' energy: -85.892
flat angles C4'-P-C4' energy: -85.767
flat angles P-C4'-P energy: -61.663
tors. eta vs tors. theta energy: -126.315
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: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1325.363257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.363257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.363257 (E_RNA)
where:
Base-Base interactions energy: -895.263
where: short stacking energy: -377.398
Base-Backbone interact. energy: -1.514
local terms energy: -428.586108
where:
bonds (distance) C4'-P energy: -82.244
bonds (distance) P-C4' energy: -86.136
flat angles C4'-P-C4' energy: -83.657
flat angles P-C4'-P energy: -55.978
tors. eta vs tors. theta energy: -120.570
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: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1204.782394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.782394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.782394 (E_RNA)
where:
Base-Base interactions energy: -793.315
where: short stacking energy: -365.345
Base-Backbone interact. energy: -1.061
local terms energy: -410.406250
where:
bonds (distance) C4'-P energy: -78.981
bonds (distance) P-C4' energy: -78.163
flat angles C4'-P-C4' energy: -84.737
flat angles P-C4'-P energy: -53.110
tors. eta vs tors. theta energy: -115.415
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: 135
Temperature: 1.050000
Total energy: -1100.943743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.943743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.943743 (E_RNA)
where:
Base-Base interactions energy: -733.260
where: short stacking energy: -305.156
Base-Backbone interact. energy: -0.667
local terms energy: -367.016416
where:
bonds (distance) C4'-P energy: -65.608
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -81.588
flat angles P-C4'-P energy: -47.929
tors. eta vs tors. theta energy: -88.815
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: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1028.278696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.278696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.278696 (E_RNA)
where:
Base-Base interactions energy: -656.703
where: short stacking energy: -288.261
Base-Backbone interact. energy: -1.643
local terms energy: -369.932761
where:
bonds (distance) C4'-P energy: -72.842
bonds (distance) P-C4' energy: -89.808
flat angles C4'-P-C4' energy: -75.642
flat angles P-C4'-P energy: -48.642
tors. eta vs tors. theta energy: -82.998
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: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -984.685887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.685887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.685887 (E_RNA)
where:
Base-Base interactions energy: -645.011
where: short stacking energy: -282.868
Base-Backbone interact. energy: -2.655
local terms energy: -337.019860
where:
bonds (distance) C4'-P energy: -64.905
bonds (distance) P-C4' energy: -68.234
flat angles C4'-P-C4' energy: -66.324
flat angles P-C4'-P energy: -58.905
tors. eta vs tors. theta energy: -78.651
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -815.781666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.781666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.781666 (E_RNA)
where:
Base-Base interactions energy: -506.030
where: short stacking energy: -223.131
Base-Backbone interact. energy: 1.421
local terms energy: -311.172528
where:
bonds (distance) C4'-P energy: -58.400
bonds (distance) P-C4' energy: -71.216
flat angles C4'-P-C4' energy: -67.488
flat angles P-C4'-P energy: -49.780
tors. eta vs tors. theta energy: -64.288
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: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -563.871103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.871103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.871103 (E_RNA)
where:
Base-Base interactions energy: -327.556
where: short stacking energy: -165.174
Base-Backbone interact. energy: -1.527
local terms energy: -234.788177
where:
bonds (distance) C4'-P energy: -52.014
bonds (distance) P-C4' energy: -65.840
flat angles C4'-P-C4' energy: -61.748
flat angles P-C4'-P energy: -48.646
tors. eta vs tors. theta energy: -6.540
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: 9, replica: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -385.651441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.651441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.651441 (E_RNA)
where:
Base-Base interactions energy: -150.637
where: short stacking energy: -107.677
Base-Backbone interact. energy: -2.144
local terms energy: -232.870318
where:
bonds (distance) C4'-P energy: -54.600
bonds (distance) P-C4' energy: -68.620
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -34.166
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: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -321.485046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.485046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.485046 (E_RNA)
where:
Base-Base interactions energy: -111.147
where: short stacking energy: -88.349
Base-Backbone interact. energy: -1.301
local terms energy: -209.036858
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -65.896
flat angles C4'-P-C4' energy: -60.448
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: 8.987
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: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1406.625339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.625339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.625339 (E_RNA)
where:
Base-Base interactions energy: -981.561
where: short stacking energy: -397.921
Base-Backbone interact. energy: -2.441
local terms energy: -422.623150
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -81.909
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -123.639
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: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1308.000166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.000166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.000166 (E_RNA)
where:
Base-Base interactions energy: -904.877
where: short stacking energy: -364.503
Base-Backbone interact. energy: 0.882
local terms energy: -404.005533
where:
bonds (distance) C4'-P energy: -78.335
bonds (distance) P-C4' energy: -78.727
flat angles C4'-P-C4' energy: -81.924
flat angles P-C4'-P energy: -61.959
tors. eta vs tors. theta energy: -103.060
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: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1239.388157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.388157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.388157 (E_RNA)
where:
Base-Base interactions energy: -822.369
where: short stacking energy: -363.202
Base-Backbone interact. energy: -2.720
local terms energy: -414.299329
where:
bonds (distance) C4'-P energy: -71.951
bonds (distance) P-C4' energy: -87.787
flat angles C4'-P-C4' energy: -83.058
flat angles P-C4'-P energy: -54.395
tors. eta vs tors. theta energy: -117.108
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: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1088.724572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.724572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.724572 (E_RNA)
where:
Base-Base interactions energy: -713.437
where: short stacking energy: -311.267
Base-Backbone interact. energy: -2.058
local terms energy: -373.228939
where:
bonds (distance) C4'-P energy: -71.269
bonds (distance) P-C4' energy: -85.424
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -99.777
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: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1004.350090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.350090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.350090 (E_RNA)
where:
Base-Base interactions energy: -662.243
where: short stacking energy: -296.008
Base-Backbone interact. energy: 0.538
local terms energy: -342.645280
where:
bonds (distance) C4'-P energy: -81.659
bonds (distance) P-C4' energy: -73.182
flat angles C4'-P-C4' energy: -73.300
flat angles P-C4'-P energy: -49.061
tors. eta vs tors. theta energy: -65.444
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: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -992.444886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.444886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.444886 (E_RNA)
where:
Base-Base interactions energy: -634.226
where: short stacking energy: -296.599
Base-Backbone interact. energy: -1.432
local terms energy: -356.787136
where:
bonds (distance) C4'-P energy: -74.989
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -77.411
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -87.897
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: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -780.621540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.621540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.621540 (E_RNA)
where:
Base-Base interactions energy: -487.815
where: short stacking energy: -213.208
Base-Backbone interact. energy: -2.208
local terms energy: -290.599130
where:
bonds (distance) C4'-P energy: -66.159
bonds (distance) P-C4' energy: -80.892
flat angles C4'-P-C4' energy: -57.699
flat angles P-C4'-P energy: -45.293
tors. eta vs tors. theta energy: -40.556
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: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -568.070396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.070396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.070396 (E_RNA)
where:
Base-Base interactions energy: -293.124
where: short stacking energy: -162.738
Base-Backbone interact. energy: 0.901
local terms energy: -275.847156
where:
bonds (distance) C4'-P energy: -72.944
bonds (distance) P-C4' energy: -71.262
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: -15.422
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: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -413.495270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.495270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.495270 (E_RNA)
where:
Base-Base interactions energy: -191.069
where: short stacking energy: -137.099
Base-Backbone interact. energy: 4.671
local terms energy: -227.096893
where:
bonds (distance) C4'-P energy: -51.639
bonds (distance) P-C4' energy: -68.147
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -7.813
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: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -353.939982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.939982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.939982 (E_RNA)
where:
Base-Base interactions energy: -139.184
where: short stacking energy: -104.409
Base-Backbone interact. energy: 3.566
local terms energy: -218.321390
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -71.072
flat angles C4'-P-C4' energy: -63.511
flat angles P-C4'-P energy: -38.313
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: 137
Temperature: 0.900000
Total energy: -1409.000091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.000091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.000091 (E_RNA)
where:
Base-Base interactions energy: -972.845
where: short stacking energy: -403.465
Base-Backbone interact. energy: -0.938
local terms energy: -435.217345
where:
bonds (distance) C4'-P energy: -89.807
bonds (distance) P-C4' energy: -78.150
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -125.028
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: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1316.248700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.248700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.248700 (E_RNA)
where:
Base-Base interactions energy: -904.982
where: short stacking energy: -385.800
Base-Backbone interact. energy: -1.608
local terms energy: -409.657948
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -88.764
flat angles C4'-P-C4' energy: -80.449
flat angles P-C4'-P energy: -51.179
tors. eta vs tors. theta energy: -111.211
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: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1218.407906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.407906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.407906 (E_RNA)
where:
Base-Base interactions energy: -810.983
where: short stacking energy: -370.986
Base-Backbone interact. energy: 3.010
local terms energy: -410.434987
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -73.632
flat angles C4'-P-C4' energy: -86.393
flat angles P-C4'-P energy: -52.695
tors. eta vs tors. theta energy: -118.846
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1138.335232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.335232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.335232 (E_RNA)
where:
Base-Base interactions energy: -752.468
where: short stacking energy: -321.831
Base-Backbone interact. energy: -0.286
local terms energy: -385.581775
where:
bonds (distance) C4'-P energy: -72.628
bonds (distance) P-C4' energy: -75.323
flat angles C4'-P-C4' energy: -79.496
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -99.702
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: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -986.140413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.140413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.140413 (E_RNA)
where:
Base-Base interactions energy: -645.339
where: short stacking energy: -304.524
Base-Backbone interact. energy: -2.080
local terms energy: -338.720981
where:
bonds (distance) C4'-P energy: -77.446
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -67.178
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -83.221
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: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1004.240317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.240317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.240317 (E_RNA)
where:
Base-Base interactions energy: -637.737
where: short stacking energy: -279.864
Base-Backbone interact. energy: 0.181
local terms energy: -366.684300
where:
bonds (distance) C4'-P energy: -68.955
bonds (distance) P-C4' energy: -78.197
flat angles C4'-P-C4' energy: -81.050
flat angles P-C4'-P energy: -54.157
tors. eta vs tors. theta energy: -84.325
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: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -806.328340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.328340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.328340 (E_RNA)
where:
Base-Base interactions energy: -510.884
where: short stacking energy: -233.269
Base-Backbone interact. energy: -0.581
local terms energy: -294.863419
where:
bonds (distance) C4'-P energy: -59.876
bonds (distance) P-C4' energy: -65.806
flat angles C4'-P-C4' energy: -75.528
flat angles P-C4'-P energy: -46.523
tors. eta vs tors. theta energy: -47.130
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: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -585.400330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.400330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.400330 (E_RNA)
where:
Base-Base interactions energy: -315.744
where: short stacking energy: -166.287
Base-Backbone interact. energy: 0.783
local terms energy: -270.438846
where:
bonds (distance) C4'-P energy: -67.035
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -28.404
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: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -361.726736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.726736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.726736 (E_RNA)
where:
Base-Base interactions energy: -146.484
where: short stacking energy: -93.364
Base-Backbone interact. energy: 0.675
local terms energy: -215.918155
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -69.190
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -2.861
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: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -309.194522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.194522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.194522 (E_RNA)
where:
Base-Base interactions energy: -107.502
where: short stacking energy: -74.256
Base-Backbone interact. energy: -0.757
local terms energy: -200.935551
where:
bonds (distance) C4'-P energy: -70.907
bonds (distance) P-C4' energy: -63.837
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: 8.184
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: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1423.012648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.012648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.012648 (E_RNA)
where:
Base-Base interactions energy: -979.930
where: short stacking energy: -390.124
Base-Backbone interact. energy: -3.227
local terms energy: -439.855962
where:
bonds (distance) C4'-P energy: -80.090
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -90.552
flat angles P-C4'-P energy: -63.660
tors. eta vs tors. theta energy: -128.375
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: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1302.159468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.159468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.159468 (E_RNA)
where:
Base-Base interactions energy: -883.638
where: short stacking energy: -372.042
Base-Backbone interact. energy: -1.995
local terms energy: -416.526695
where:
bonds (distance) C4'-P energy: -80.797
bonds (distance) P-C4' energy: -86.176
flat angles C4'-P-C4' energy: -82.667
flat angles P-C4'-P energy: -58.556
tors. eta vs tors. theta energy: -108.331
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: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1210.537906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.537906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.537906 (E_RNA)
where:
Base-Base interactions energy: -801.761
where: short stacking energy: -374.466
Base-Backbone interact. energy: -0.277
local terms energy: -408.499790
where:
bonds (distance) C4'-P energy: -78.055
bonds (distance) P-C4' energy: -71.981
flat angles C4'-P-C4' energy: -87.761
flat angles P-C4'-P energy: -58.042
tors. eta vs tors. theta energy: -112.660
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: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1166.162604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.162604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.162604 (E_RNA)
where:
Base-Base interactions energy: -777.287
where: short stacking energy: -328.553
Base-Backbone interact. energy: -3.482
local terms energy: -385.393176
where:
bonds (distance) C4'-P energy: -79.669
bonds (distance) P-C4' energy: -67.009
flat angles C4'-P-C4' energy: -91.210
flat angles P-C4'-P energy: -56.619
tors. eta vs tors. theta energy: -90.886
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: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1012.305485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.305485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.305485 (E_RNA)
where:
Base-Base interactions energy: -648.649
where: short stacking energy: -274.592
Base-Backbone interact. energy: -0.988
local terms energy: -362.668870
where:
bonds (distance) C4'-P energy: -64.210
bonds (distance) P-C4' energy: -85.332
flat angles C4'-P-C4' energy: -76.565
flat angles P-C4'-P energy: -54.783
tors. eta vs tors. theta energy: -81.780
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -895.003099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.003099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.003099 (E_RNA)
where:
Base-Base interactions energy: -552.426
where: short stacking energy: -242.327
Base-Backbone interact. energy: -2.179
local terms energy: -340.398501
where:
bonds (distance) C4'-P energy: -70.294
bonds (distance) P-C4' energy: -73.973
flat angles C4'-P-C4' energy: -79.653
flat angles P-C4'-P energy: -55.203
tors. eta vs tors. theta energy: -61.276
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: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -790.790991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.790991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.790991 (E_RNA)
where:
Base-Base interactions energy: -494.700
where: short stacking energy: -231.450
Base-Backbone interact. energy: 3.646
local terms energy: -299.736994
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -65.089
flat angles C4'-P-C4' energy: -73.601
flat angles P-C4'-P energy: -48.961
tors. eta vs tors. theta energy: -49.463
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: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -581.431579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.431579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.431579 (E_RNA)
where:
Base-Base interactions energy: -325.606
where: short stacking energy: -186.418
Base-Backbone interact. energy: 1.728
local terms energy: -257.553388
where:
bonds (distance) C4'-P energy: -63.058
bonds (distance) P-C4' energy: -75.101
flat angles C4'-P-C4' energy: -50.284
flat angles P-C4'-P energy: -43.637
tors. eta vs tors. theta energy: -25.473
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: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -340.631417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.631417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.631417 (E_RNA)
where:
Base-Base interactions energy: -114.565
where: short stacking energy: -100.912
Base-Backbone interact. energy: -0.939
local terms energy: -225.126925
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -73.009
flat angles C4'-P-C4' energy: -56.154
flat angles P-C4'-P energy: -39.535
tors. eta vs tors. theta energy: 15.614
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: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -328.436325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.436325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.436325 (E_RNA)
where:
Base-Base interactions energy: -143.407
where: short stacking energy: -98.684
Base-Backbone interact. energy: -1.731
local terms energy: -183.298087
where:
bonds (distance) C4'-P energy: -62.348
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: 15.497
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1419.114913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.114913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.114913 (E_RNA)
where:
Base-Base interactions energy: -978.534
where: short stacking energy: -399.273
Base-Backbone interact. energy: -2.983
local terms energy: -437.597364
where:
bonds (distance) C4'-P energy: -82.754
bonds (distance) P-C4' energy: -86.717
flat angles C4'-P-C4' energy: -81.520
flat angles P-C4'-P energy: -62.044
tors. eta vs tors. theta energy: -124.563
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1305.182954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.182954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.182954 (E_RNA)
where:
Base-Base interactions energy: -890.794
where: short stacking energy: -382.902
Base-Backbone interact. energy: -3.350
local terms energy: -411.038651
where:
bonds (distance) C4'-P energy: -75.921
bonds (distance) P-C4' energy: -74.812
flat angles C4'-P-C4' energy: -90.252
flat angles P-C4'-P energy: -54.387
tors. eta vs tors. theta energy: -115.667
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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1190.417689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.417689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.417689 (E_RNA)
where:
Base-Base interactions energy: -775.028
where: short stacking energy: -332.428
Base-Backbone interact. energy: -1.083
local terms energy: -414.306893
where:
bonds (distance) C4'-P energy: -73.162
bonds (distance) P-C4' energy: -83.916
flat angles C4'-P-C4' energy: -90.519
flat angles P-C4'-P energy: -59.459
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: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1145.066886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.066886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.066886 (E_RNA)
where:
Base-Base interactions energy: -789.829
where: short stacking energy: -346.460
Base-Backbone interact. energy: -1.854
local terms energy: -353.382972
where:
bonds (distance) C4'-P energy: -67.248
bonds (distance) P-C4' energy: -70.228
flat angles C4'-P-C4' energy: -77.113
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -92.657
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: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1071.223410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.223410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.223410 (E_RNA)
where:
Base-Base interactions energy: -707.547
where: short stacking energy: -315.858
Base-Backbone interact. energy: -0.285
local terms energy: -363.391758
where:
bonds (distance) C4'-P energy: -71.251
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -84.128
flat angles P-C4'-P energy: -49.054
tors. eta vs tors. theta energy: -86.144
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: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -927.490875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.490875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.490875 (E_RNA)
where:
Base-Base interactions energy: -602.344
where: short stacking energy: -269.671
Base-Backbone interact. energy: -2.139
local terms energy: -323.008131
where:
bonds (distance) C4'-P energy: -76.726
bonds (distance) P-C4' energy: -60.120
flat angles C4'-P-C4' energy: -79.472
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -68.291
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: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -754.690675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.690675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.690675 (E_RNA)
where:
Base-Base interactions energy: -446.369
where: short stacking energy: -204.519
Base-Backbone interact. energy: -1.863
local terms energy: -306.458650
where:
bonds (distance) C4'-P energy: -69.003
bonds (distance) P-C4' energy: -74.145
flat angles C4'-P-C4' energy: -78.810
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -46.960
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: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -569.949693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.949693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.949693 (E_RNA)
where:
Base-Base interactions energy: -300.592
where: short stacking energy: -163.901
Base-Backbone interact. energy: -1.288
local terms energy: -268.069393
where:
bonds (distance) C4'-P energy: -73.130
bonds (distance) P-C4' energy: -77.116
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -20.285
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -325.877020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.877020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.877020 (E_RNA)
where:
Base-Base interactions energy: -137.060
where: short stacking energy: -91.572
Base-Backbone interact. energy: 1.823
local terms energy: -190.639679
where:
bonds (distance) C4'-P energy: -61.368
bonds (distance) P-C4' energy: -69.868
flat angles C4'-P-C4' energy: -45.587
flat angles P-C4'-P energy: -34.401
tors. eta vs tors. theta energy: 20.584
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: 139
Temperature: 1.350000
Total energy: -318.250894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.250894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.250894 (E_RNA)
where:
Base-Base interactions energy: -101.781
where: short stacking energy: -81.626
Base-Backbone interact. energy: 1.954
local terms energy: -218.423736
where:
bonds (distance) C4'-P energy: -59.528
bonds (distance) P-C4' energy: -73.538
flat angles C4'-P-C4' energy: -55.239
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: 1.939
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: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1403.117572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.117572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.117572 (E_RNA)
where:
Base-Base interactions energy: -977.496
where: short stacking energy: -387.501
Base-Backbone interact. energy: -3.060
local terms energy: -422.562240
where:
bonds (distance) C4'-P energy: -74.479
bonds (distance) P-C4' energy: -74.083
flat angles C4'-P-C4' energy: -89.966
flat angles P-C4'-P energy: -60.160
tors. eta vs tors. theta energy: -123.875
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: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1319.798485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.798485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.798485 (E_RNA)
where:
Base-Base interactions energy: -875.824
where: short stacking energy: -383.939
Base-Backbone interact. energy: -1.183
local terms energy: -442.791929
where:
bonds (distance) C4'-P energy: -80.182
bonds (distance) P-C4' energy: -79.771
flat angles C4'-P-C4' energy: -91.794
flat angles P-C4'-P energy: -69.881
tors. eta vs tors. theta energy: -121.163
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: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1216.474744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.474744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.474744 (E_RNA)
where:
Base-Base interactions energy: -800.581
where: short stacking energy: -370.123
Base-Backbone interact. energy: -0.836
local terms energy: -415.058278
where:
bonds (distance) C4'-P energy: -84.582
bonds (distance) P-C4' energy: -77.811
flat angles C4'-P-C4' energy: -75.635
flat angles P-C4'-P energy: -53.245
tors. eta vs tors. theta energy: -123.785
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1161.073737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.073737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.073737 (E_RNA)
where:
Base-Base interactions energy: -809.697
where: short stacking energy: -342.044
Base-Backbone interact. energy: 4.420
local terms energy: -355.796971
where:
bonds (distance) C4'-P energy: -60.497
bonds (distance) P-C4' energy: -62.378
flat angles C4'-P-C4' energy: -75.205
flat angles P-C4'-P energy: -59.169
tors. eta vs tors. theta energy: -98.547
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: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1072.527515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.527515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.527515 (E_RNA)
where:
Base-Base interactions energy: -699.861
where: short stacking energy: -310.192
Base-Backbone interact. energy: -1.290
local terms energy: -371.376360
where:
bonds (distance) C4'-P energy: -69.578
bonds (distance) P-C4' energy: -86.504
flat angles C4'-P-C4' energy: -76.578
flat angles P-C4'-P energy: -49.799
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: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -951.261065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.261065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.261065 (E_RNA)
where:
Base-Base interactions energy: -612.888
where: short stacking energy: -278.650
Base-Backbone interact. energy: 0.241
local terms energy: -338.614511
where:
bonds (distance) C4'-P energy: -73.567
bonds (distance) P-C4' energy: -69.643
flat angles C4'-P-C4' energy: -75.314
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -76.940
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: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -791.740242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.740242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.740242 (E_RNA)
where:
Base-Base interactions energy: -505.010
where: short stacking energy: -210.474
Base-Backbone interact. energy: -1.514
local terms energy: -285.216378
where:
bonds (distance) C4'-P energy: -69.283
bonds (distance) P-C4' energy: -70.363
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -40.033
tors. eta vs tors. theta energy: -42.607
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: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -515.807335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.807335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.807335 (E_RNA)
where:
Base-Base interactions energy: -268.818
where: short stacking energy: -149.104
Base-Backbone interact. energy: -1.584
local terms energy: -245.404631
where:
bonds (distance) C4'-P energy: -61.532
bonds (distance) P-C4' energy: -83.780
flat angles C4'-P-C4' energy: -62.924
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -2.537
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: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -332.202606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.202606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.202606 (E_RNA)
where:
Base-Base interactions energy: -111.921
where: short stacking energy: -85.801
Base-Backbone interact. energy: 3.801
local terms energy: -224.082809
where:
bonds (distance) C4'-P energy: -73.896
bonds (distance) P-C4' energy: -78.592
flat angles C4'-P-C4' energy: -60.495
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: 13.019
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: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -335.086655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.086655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.086655 (E_RNA)
where:
Base-Base interactions energy: -94.151
where: short stacking energy: -90.821
Base-Backbone interact. energy: -1.923
local terms energy: -239.012989
where:
bonds (distance) C4'-P energy: -69.804
bonds (distance) P-C4' energy: -67.729
flat angles C4'-P-C4' energy: -64.623
flat angles P-C4'-P energy: -38.266
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: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1380.890060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.890060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.890060 (E_RNA)
where:
Base-Base interactions energy: -952.967
where: short stacking energy: -392.075
Base-Backbone interact. energy: -0.882
local terms energy: -427.041944
where:
bonds (distance) C4'-P energy: -76.114
bonds (distance) P-C4' energy: -74.400
flat angles C4'-P-C4' energy: -90.437
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -128.281
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: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1333.124749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.124749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.124749 (E_RNA)
where:
Base-Base interactions energy: -915.754
where: short stacking energy: -388.268
Base-Backbone interact. energy: -2.166
local terms energy: -415.204519
where:
bonds (distance) C4'-P energy: -74.618
bonds (distance) P-C4' energy: -73.811
flat angles C4'-P-C4' energy: -87.839
flat angles P-C4'-P energy: -67.393
tors. eta vs tors. theta energy: -111.544
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: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1203.102826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.102826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.102826 (E_RNA)
where:
Base-Base interactions energy: -787.909
where: short stacking energy: -355.136
Base-Backbone interact. energy: 0.666
local terms energy: -415.859094
where:
bonds (distance) C4'-P energy: -82.268
bonds (distance) P-C4' energy: -83.057
flat angles C4'-P-C4' energy: -90.647
flat angles P-C4'-P energy: -54.433
tors. eta vs tors. theta energy: -105.454
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1109.399747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.399747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.399747 (E_RNA)
where:
Base-Base interactions energy: -763.580
where: short stacking energy: -327.332
Base-Backbone interact. energy: -0.720
local terms energy: -345.099366
where:
bonds (distance) C4'-P energy: -65.448
bonds (distance) P-C4' energy: -63.069
flat angles C4'-P-C4' energy: -78.269
flat angles P-C4'-P energy: -49.660
tors. eta vs tors. theta energy: -88.653
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: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1044.303458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.303458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.303458 (E_RNA)
where:
Base-Base interactions energy: -680.890
where: short stacking energy: -308.729
Base-Backbone interact. energy: 0.662
local terms energy: -364.075606
where:
bonds (distance) C4'-P energy: -71.671
bonds (distance) P-C4' energy: -73.330
flat angles C4'-P-C4' energy: -86.310
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -95.073
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -987.886484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.886484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.886484 (E_RNA)
where:
Base-Base interactions energy: -644.414
where: short stacking energy: -271.092
Base-Backbone interact. energy: -1.057
local terms energy: -342.415635
where:
bonds (distance) C4'-P energy: -62.896
bonds (distance) P-C4' energy: -72.731
flat angles C4'-P-C4' energy: -74.013
flat angles P-C4'-P energy: -53.310
tors. eta vs tors. theta energy: -79.466
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -800.153626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.153626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.153626 (E_RNA)
where:
Base-Base interactions energy: -506.816
where: short stacking energy: -219.533
Base-Backbone interact. energy: -1.808
local terms energy: -291.529730
where:
bonds (distance) C4'-P energy: -60.253
bonds (distance) P-C4' energy: -84.836
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -52.470
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: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -449.550844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.550844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.550844 (E_RNA)
where:
Base-Base interactions energy: -205.934
where: short stacking energy: -130.517
Base-Backbone interact. energy: -1.362
local terms energy: -242.254923
where:
bonds (distance) C4'-P energy: -71.240
bonds (distance) P-C4' energy: -65.717
flat angles C4'-P-C4' energy: -59.172
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: -4.982
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: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -337.052478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.052478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.052478 (E_RNA)
where:
Base-Base interactions energy: -104.775
where: short stacking energy: -99.348
Base-Backbone interact. energy: 0.263
local terms energy: -232.540555
where:
bonds (distance) C4'-P energy: -71.193
bonds (distance) P-C4' energy: -71.452
flat angles C4'-P-C4' energy: -60.660
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: 7.118
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: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -324.938766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.938766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.938766 (E_RNA)
where:
Base-Base interactions energy: -99.026
where: short stacking energy: -80.253
Base-Backbone interact. energy: -1.621
local terms energy: -224.291854
where:
bonds (distance) C4'-P energy: -67.762
bonds (distance) P-C4' energy: -69.135
flat angles C4'-P-C4' energy: -76.656
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: 13.177
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: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1376.721443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.721443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.721443 (E_RNA)
where:
Base-Base interactions energy: -948.799
where: short stacking energy: -401.604
Base-Backbone interact. energy: -0.970
local terms energy: -426.952880
where:
bonds (distance) C4'-P energy: -84.737
bonds (distance) P-C4' energy: -82.130
flat angles C4'-P-C4' energy: -92.271
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -123.238
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: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1318.868501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.868501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.868501 (E_RNA)
where:
Base-Base interactions energy: -898.827
where: short stacking energy: -389.655
Base-Backbone interact. energy: -1.074
local terms energy: -418.968074
where:
bonds (distance) C4'-P energy: -74.331
bonds (distance) P-C4' energy: -86.248
flat angles C4'-P-C4' energy: -81.671
flat angles P-C4'-P energy: -68.185
tors. eta vs tors. theta energy: -108.534
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: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1188.951006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.951006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.951006 (E_RNA)
where:
Base-Base interactions energy: -781.728
where: short stacking energy: -351.265
Base-Backbone interact. energy: -0.352
local terms energy: -406.870975
where:
bonds (distance) C4'-P energy: -79.953
bonds (distance) P-C4' energy: -81.861
flat angles C4'-P-C4' energy: -86.190
flat angles P-C4'-P energy: -53.200
tors. eta vs tors. theta energy: -105.667
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: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1126.706981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.706981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.706981 (E_RNA)
where:
Base-Base interactions energy: -752.287
where: short stacking energy: -318.563
Base-Backbone interact. energy: -0.934
local terms energy: -373.485234
where:
bonds (distance) C4'-P energy: -84.890
bonds (distance) P-C4' energy: -72.575
flat angles C4'-P-C4' energy: -73.968
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: -94.830
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: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1063.841304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.841304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.841304 (E_RNA)
where:
Base-Base interactions energy: -709.963
where: short stacking energy: -299.398
Base-Backbone interact. energy: 1.336
local terms energy: -355.213757
where:
bonds (distance) C4'-P energy: -67.101
bonds (distance) P-C4' energy: -68.716
flat angles C4'-P-C4' energy: -87.037
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -89.263
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: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1001.235644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.235644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.235644 (E_RNA)
where:
Base-Base interactions energy: -667.717
where: short stacking energy: -269.628
Base-Backbone interact. energy: 1.226
local terms energy: -334.744439
where:
bonds (distance) C4'-P energy: -80.571
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -64.639
tors. eta vs tors. theta energy: -62.238
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: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -748.709987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.709987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.709987 (E_RNA)
where:
Base-Base interactions energy: -435.809
where: short stacking energy: -211.131
Base-Backbone interact. energy: -2.993
local terms energy: -309.908512
where:
bonds (distance) C4'-P energy: -67.833
bonds (distance) P-C4' energy: -66.773
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -49.496
tors. eta vs tors. theta energy: -46.816
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: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -472.618915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.618915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.618915 (E_RNA)
where:
Base-Base interactions energy: -219.912
where: short stacking energy: -140.583
Base-Backbone interact. energy: -0.889
local terms energy: -251.818058
where:
bonds (distance) C4'-P energy: -62.060
bonds (distance) P-C4' energy: -71.630
flat angles C4'-P-C4' energy: -51.015
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: -19.109
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: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -353.302838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.302838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.302838 (E_RNA)
where:
Base-Base interactions energy: -134.938
where: short stacking energy: -127.191
Base-Backbone interact. energy: 0.770
local terms energy: -219.134738
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -68.747
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -3.437
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: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -305.437676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.437676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.437676 (E_RNA)
where:
Base-Base interactions energy: -104.259
where: short stacking energy: -84.170
Base-Backbone interact. energy: -0.054
local terms energy: -201.124199
where:
bonds (distance) C4'-P energy: -56.837
bonds (distance) P-C4' energy: -70.337
flat angles C4'-P-C4' energy: -54.857
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: 4.968
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: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1408.264651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.264651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.264651 (E_RNA)
where:
Base-Base interactions energy: -984.536
where: short stacking energy: -404.389
Base-Backbone interact. energy: -2.075
local terms energy: -421.653848
where:
bonds (distance) C4'-P energy: -66.614
bonds (distance) P-C4' energy: -74.525
flat angles C4'-P-C4' energy: -92.501
flat angles P-C4'-P energy: -62.483
tors. eta vs tors. theta energy: -125.531
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: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1340.659807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.659807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.659807 (E_RNA)
where:
Base-Base interactions energy: -930.603
where: short stacking energy: -382.821
Base-Backbone interact. energy: -0.175
local terms energy: -409.882018
where:
bonds (distance) C4'-P energy: -73.984
bonds (distance) P-C4' energy: -78.014
flat angles C4'-P-C4' energy: -87.731
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -120.141
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: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1196.694599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.694599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.694599 (E_RNA)
where:
Base-Base interactions energy: -783.376
where: short stacking energy: -352.553
Base-Backbone interact. energy: -1.573
local terms energy: -411.746221
where:
bonds (distance) C4'-P energy: -74.206
bonds (distance) P-C4' energy: -72.746
flat angles C4'-P-C4' energy: -92.216
flat angles P-C4'-P energy: -63.609
tors. eta vs tors. theta energy: -108.969
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: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1123.582351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.582351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.582351 (E_RNA)
where:
Base-Base interactions energy: -743.796
where: short stacking energy: -309.420
Base-Backbone interact. energy: -2.843
local terms energy: -376.943861
where:
bonds (distance) C4'-P energy: -85.017
bonds (distance) P-C4' energy: -79.285
flat angles C4'-P-C4' energy: -81.736
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -87.859
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: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1067.431405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.431405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.431405 (E_RNA)
where:
Base-Base interactions energy: -724.997
where: short stacking energy: -301.376
Base-Backbone interact. energy: -0.825
local terms energy: -341.609966
where:
bonds (distance) C4'-P energy: -59.097
bonds (distance) P-C4' energy: -56.981
flat angles C4'-P-C4' energy: -78.517
flat angles P-C4'-P energy: -58.901
tors. eta vs tors. theta energy: -88.114
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1009.975797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.975797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.975797 (E_RNA)
where:
Base-Base interactions energy: -657.391
where: short stacking energy: -260.442
Base-Backbone interact. energy: -1.498
local terms energy: -351.086922
where:
bonds (distance) C4'-P energy: -69.219
bonds (distance) P-C4' energy: -72.493
flat angles C4'-P-C4' energy: -83.819
flat angles P-C4'-P energy: -58.174
tors. eta vs tors. theta energy: -67.381
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: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -691.358025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.358025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.358025 (E_RNA)
where:
Base-Base interactions energy: -445.139
where: short stacking energy: -200.087
Base-Backbone interact. energy: 6.611
local terms energy: -252.829758
where:
bonds (distance) C4'-P energy: -68.862
bonds (distance) P-C4' energy: -58.501
flat angles C4'-P-C4' energy: -54.678
flat angles P-C4'-P energy: -45.038
tors. eta vs tors. theta energy: -25.749
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: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -446.856115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.856115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.856115 (E_RNA)
where:
Base-Base interactions energy: -185.920
where: short stacking energy: -121.333
Base-Backbone interact. energy: -1.096
local terms energy: -259.840180
where:
bonds (distance) C4'-P energy: -75.315
bonds (distance) P-C4' energy: -81.528
flat angles C4'-P-C4' energy: -60.729
flat angles P-C4'-P energy: -38.311
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: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -351.779671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.779671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.779671 (E_RNA)
where:
Base-Base interactions energy: -125.205
where: short stacking energy: -94.582
Base-Backbone interact. energy: 1.486
local terms energy: -228.060686
where:
bonds (distance) C4'-P energy: -62.870
bonds (distance) P-C4' energy: -79.582
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -34.260
tors. eta vs tors. theta energy: 5.892
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: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -308.390376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.390376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.390376 (E_RNA)
where:
Base-Base interactions energy: -79.100
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.904
local terms energy: -228.386903
where:
bonds (distance) C4'-P energy: -64.069
bonds (distance) P-C4' energy: -77.905
flat angles C4'-P-C4' energy: -73.262
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: 11.014
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: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1421.732719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.732719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.732719 (E_RNA)
where:
Base-Base interactions energy: -977.043
where: short stacking energy: -417.383
Base-Backbone interact. energy: 1.277
local terms energy: -445.966645
where:
bonds (distance) C4'-P energy: -85.392
bonds (distance) P-C4' energy: -85.066
flat angles C4'-P-C4' energy: -94.847
flat angles P-C4'-P energy: -54.481
tors. eta vs tors. theta energy: -126.180
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: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1339.447332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.447332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.447332 (E_RNA)
where:
Base-Base interactions energy: -919.226
where: short stacking energy: -395.742
Base-Backbone interact. energy: -0.705
local terms energy: -419.516361
where:
bonds (distance) C4'-P energy: -81.173
bonds (distance) P-C4' energy: -81.446
flat angles C4'-P-C4' energy: -88.403
flat angles P-C4'-P energy: -57.307
tors. eta vs tors. theta energy: -111.188
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: 10
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1192.526699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.526699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.526699 (E_RNA)
where:
Base-Base interactions energy: -784.694
where: short stacking energy: -359.871
Base-Backbone interact. energy: -1.000
local terms energy: -406.832829
where:
bonds (distance) C4'-P energy: -65.529
bonds (distance) P-C4' energy: -74.375
flat angles C4'-P-C4' energy: -88.219
flat angles P-C4'-P energy: -66.549
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: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1137.028802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.028802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.028802 (E_RNA)
where:
Base-Base interactions energy: -769.708
where: short stacking energy: -300.041
Base-Backbone interact. energy: 1.088
local terms energy: -368.408459
where:
bonds (distance) C4'-P energy: -73.652
bonds (distance) P-C4' energy: -72.559
flat angles C4'-P-C4' energy: -73.961
flat angles P-C4'-P energy: -54.974
tors. eta vs tors. theta energy: -93.262
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1076.935158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.935158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.935158 (E_RNA)
where:
Base-Base interactions energy: -700.295
where: short stacking energy: -312.567
Base-Backbone interact. energy: 1.278
local terms energy: -377.918215
where:
bonds (distance) C4'-P energy: -68.373
bonds (distance) P-C4' energy: -79.851
flat angles C4'-P-C4' energy: -76.974
flat angles P-C4'-P energy: -53.555
tors. eta vs tors. theta energy: -99.165
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: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1053.269416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.269416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.269416 (E_RNA)
where:
Base-Base interactions energy: -696.774
where: short stacking energy: -298.926
Base-Backbone interact. energy: -1.835
local terms energy: -354.660160
where:
bonds (distance) C4'-P energy: -65.779
bonds (distance) P-C4' energy: -67.248
flat angles C4'-P-C4' energy: -76.452
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -95.467
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: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -747.115150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.115150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.115150 (E_RNA)
where:
Base-Base interactions energy: -445.471
where: short stacking energy: -196.031
Base-Backbone interact. energy: -1.274
local terms energy: -300.370524
where:
bonds (distance) C4'-P energy: -80.366
bonds (distance) P-C4' energy: -77.235
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -40.842
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -449.631097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.631097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.631097 (E_RNA)
where:
Base-Base interactions energy: -202.793
where: short stacking energy: -140.730
Base-Backbone interact. energy: -3.154
local terms energy: -243.684711
where:
bonds (distance) C4'-P energy: -73.509
bonds (distance) P-C4' energy: -69.867
flat angles C4'-P-C4' energy: -61.929
flat angles P-C4'-P energy: -41.655
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: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -338.627039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.627039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.627039 (E_RNA)
where:
Base-Base interactions energy: -124.232
where: short stacking energy: -84.106
Base-Backbone interact. energy: 1.606
local terms energy: -216.001427
where:
bonds (distance) C4'-P energy: -65.364
bonds (distance) P-C4' energy: -59.935
flat angles C4'-P-C4' energy: -64.672
flat angles P-C4'-P energy: -32.840
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)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -326.734368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.734368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.734368 (E_RNA)
where:
Base-Base interactions energy: -126.499
where: short stacking energy: -96.432
Base-Backbone interact. energy: 4.778
local terms energy: -205.013091
where:
bonds (distance) C4'-P energy: -59.435
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -62.398
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: 6.283
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: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1414.298296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.298296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.298296 (E_RNA)
where:
Base-Base interactions energy: -965.861
where: short stacking energy: -398.507
Base-Backbone interact. energy: -3.699
local terms energy: -444.737487
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -84.370
flat angles C4'-P-C4' energy: -89.085
flat angles P-C4'-P energy: -60.038
tors. eta vs tors. theta energy: -119.218
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: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1328.251311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.251311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.251311 (E_RNA)
where:
Base-Base interactions energy: -914.203
where: short stacking energy: -369.878
Base-Backbone interact. energy: -1.024
local terms energy: -413.024071
where:
bonds (distance) C4'-P energy: -77.154
bonds (distance) P-C4' energy: -72.071
flat angles C4'-P-C4' energy: -88.501
flat angles P-C4'-P energy: -59.553
tors. eta vs tors. theta energy: -115.745
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: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1187.383273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.383273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.383273 (E_RNA)
where:
Base-Base interactions energy: -780.984
where: short stacking energy: -359.555
Base-Backbone interact. energy: -1.254
local terms energy: -405.144465
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -80.445
flat angles C4'-P-C4' energy: -84.073
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -117.121
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1105.990414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.990414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.990414 (E_RNA)
where:
Base-Base interactions energy: -750.292
where: short stacking energy: -317.415
Base-Backbone interact. energy: -2.320
local terms energy: -353.378010
where:
bonds (distance) C4'-P energy: -64.077
bonds (distance) P-C4' energy: -60.729
flat angles C4'-P-C4' energy: -82.112
flat angles P-C4'-P energy: -50.635
tors. eta vs tors. theta energy: -95.826
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1072.984645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.984645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.984645 (E_RNA)
where:
Base-Base interactions energy: -695.374
where: short stacking energy: -299.847
Base-Backbone interact. energy: -0.909
local terms energy: -376.701827
where:
bonds (distance) C4'-P energy: -72.004
bonds (distance) P-C4' energy: -80.137
flat angles C4'-P-C4' energy: -81.792
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -86.840
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: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -985.461992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.461992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.461992 (E_RNA)
where:
Base-Base interactions energy: -634.489
where: short stacking energy: -273.382
Base-Backbone interact. energy: 0.346
local terms energy: -351.318972
where:
bonds (distance) C4'-P energy: -68.744
bonds (distance) P-C4' energy: -78.078
flat angles C4'-P-C4' energy: -77.922
flat angles P-C4'-P energy: -48.391
tors. eta vs tors. theta energy: -78.184
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: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -752.725708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.725708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.725708 (E_RNA)
where:
Base-Base interactions energy: -470.006
where: short stacking energy: -208.136
Base-Backbone interact. energy: -1.058
local terms energy: -281.661449
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -58.713
flat angles C4'-P-C4' energy: -65.176
flat angles P-C4'-P energy: -49.643
tors. eta vs tors. theta energy: -42.545
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: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -484.180436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.180436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.180436 (E_RNA)
where:
Base-Base interactions energy: -245.597
where: short stacking energy: -127.758
Base-Backbone interact. energy: 6.324
local terms energy: -244.907209
where:
bonds (distance) C4'-P energy: -71.297
bonds (distance) P-C4' energy: -75.113
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -3.242
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: 145
Temperature: 1.300000
Total energy: -344.543764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.543764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.543764 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -96.694
Base-Backbone interact. energy: 2.702
local terms energy: -233.413371
where:
bonds (distance) C4'-P energy: -75.638
bonds (distance) P-C4' energy: -64.647
flat angles C4'-P-C4' energy: -41.869
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -4.689
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: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -331.978473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.978473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.978473 (E_RNA)
where:
Base-Base interactions energy: -117.154
where: short stacking energy: -90.132
Base-Backbone interact. energy: -2.868
local terms energy: -211.956154
where:
bonds (distance) C4'-P energy: -72.367
bonds (distance) P-C4' energy: -62.462
flat angles C4'-P-C4' energy: -55.624
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: 11.083
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: 146
Temperature: 0.900000
Total energy: -1395.865405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.865405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.865405 (E_RNA)
where:
Base-Base interactions energy: -953.727
where: short stacking energy: -382.742
Base-Backbone interact. energy: -2.907
local terms energy: -439.231603
where:
bonds (distance) C4'-P energy: -77.436
bonds (distance) P-C4' energy: -84.937
flat angles C4'-P-C4' energy: -88.849
flat angles P-C4'-P energy: -71.412
tors. eta vs tors. theta energy: -116.598
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: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1316.836057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.836057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.836057 (E_RNA)
where:
Base-Base interactions energy: -882.098
where: short stacking energy: -367.578
Base-Backbone interact. energy: -1.098
local terms energy: -433.639647
where:
bonds (distance) C4'-P energy: -80.014
bonds (distance) P-C4' energy: -86.322
flat angles C4'-P-C4' energy: -92.030
flat angles P-C4'-P energy: -65.852
tors. eta vs tors. theta energy: -109.421
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1200.582929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.582929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.582929 (E_RNA)
where:
Base-Base interactions energy: -808.575
where: short stacking energy: -368.792
Base-Backbone interact. energy: -0.835
local terms energy: -391.173321
where:
bonds (distance) C4'-P energy: -69.656
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -85.514
flat angles P-C4'-P energy: -62.877
tors. eta vs tors. theta energy: -110.613
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: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1108.223705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.223705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.223705 (E_RNA)
where:
Base-Base interactions energy: -744.275
where: short stacking energy: -299.329
Base-Backbone interact. energy: -4.912
local terms energy: -359.037156
where:
bonds (distance) C4'-P energy: -75.636
bonds (distance) P-C4' energy: -74.151
flat angles C4'-P-C4' energy: -86.541
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -77.089
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: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1071.484582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.484582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.484582 (E_RNA)
where:
Base-Base interactions energy: -711.448
where: short stacking energy: -315.339
Base-Backbone interact. energy: -0.304
local terms energy: -359.732676
where:
bonds (distance) C4'-P energy: -69.878
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -50.909
tors. eta vs tors. theta energy: -100.090
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: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -940.754276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.754276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.754276 (E_RNA)
where:
Base-Base interactions energy: -636.463
where: short stacking energy: -269.036
Base-Backbone interact. energy: -1.046
local terms energy: -303.245474
where:
bonds (distance) C4'-P energy: -62.637
bonds (distance) P-C4' energy: -66.218
flat angles C4'-P-C4' energy: -62.757
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -72.726
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: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -689.638223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.638223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.638223 (E_RNA)
where:
Base-Base interactions energy: -394.802
where: short stacking energy: -198.264
Base-Backbone interact. energy: -3.197
local terms energy: -291.639501
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -79.369
flat angles C4'-P-C4' energy: -69.603
flat angles P-C4'-P energy: -50.972
tors. eta vs tors. theta energy: -38.246
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: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -447.442166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.442166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.442166 (E_RNA)
where:
Base-Base interactions energy: -228.683
where: short stacking energy: -125.426
Base-Backbone interact. energy: -0.440
local terms energy: -218.319463
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -70.500
flat angles C4'-P-C4' energy: -51.919
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: -9.491
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: 146
Temperature: 1.300000
Total energy: -346.323637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.323637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.323637 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -84.632
Base-Backbone interact. energy: -0.897
local terms energy: -225.766870
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -61.792
flat angles C4'-P-C4' energy: -67.460
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -0.694
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: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -340.141236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.141236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.141236 (E_RNA)
where:
Base-Base interactions energy: -126.988
where: short stacking energy: -88.024
Base-Backbone interact. energy: 1.420
local terms energy: -214.573448
where:
bonds (distance) C4'-P energy: -67.002
bonds (distance) P-C4' energy: -67.834
flat angles C4'-P-C4' energy: -57.679
flat angles P-C4'-P energy: -28.066
tors. eta vs tors. theta energy: 6.007
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: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1396.766939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.766939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.766939 (E_RNA)
where:
Base-Base interactions energy: -999.087
where: short stacking energy: -376.894
Base-Backbone interact. energy: -2.177
local terms energy: -395.502832
where:
bonds (distance) C4'-P energy: -65.476
bonds (distance) P-C4' energy: -69.640
flat angles C4'-P-C4' energy: -90.694
flat angles P-C4'-P energy: -56.053
tors. eta vs tors. theta energy: -113.640
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: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1318.837810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.837810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.837810 (E_RNA)
where:
Base-Base interactions energy: -907.964
where: short stacking energy: -381.267
Base-Backbone interact. energy: -1.543
local terms energy: -409.330544
where:
bonds (distance) C4'-P energy: -83.126
bonds (distance) P-C4' energy: -72.482
flat angles C4'-P-C4' energy: -82.013
flat angles P-C4'-P energy: -58.555
tors. eta vs tors. theta energy: -113.154
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: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1203.522399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.522399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.522399 (E_RNA)
where:
Base-Base interactions energy: -805.005
where: short stacking energy: -371.123
Base-Backbone interact. energy: 1.896
local terms energy: -400.413289
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -78.059
flat angles C4'-P-C4' energy: -93.521
flat angles P-C4'-P energy: -56.437
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1096.531247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.531247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.531247 (E_RNA)
where:
Base-Base interactions energy: -745.302
where: short stacking energy: -309.106
Base-Backbone interact. energy: 1.165
local terms energy: -352.393628
where:
bonds (distance) C4'-P energy: -77.041
bonds (distance) P-C4' energy: -64.759
flat angles C4'-P-C4' energy: -78.002
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -86.500
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1067.763632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.763632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.763632 (E_RNA)
where:
Base-Base interactions energy: -726.745
where: short stacking energy: -335.568
Base-Backbone interact. energy: -1.717
local terms energy: -339.301567
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -61.373
flat angles C4'-P-C4' energy: -77.965
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: -97.708
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: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -904.349960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.349960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.349960 (E_RNA)
where:
Base-Base interactions energy: -586.291
where: short stacking energy: -233.610
Base-Backbone interact. energy: -1.091
local terms energy: -316.968272
where:
bonds (distance) C4'-P energy: -71.825
bonds (distance) P-C4' energy: -67.300
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -59.340
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: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -709.995878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.995878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.995878 (E_RNA)
where:
Base-Base interactions energy: -420.193
where: short stacking energy: -185.218
Base-Backbone interact. energy: 0.404
local terms energy: -290.206608
where:
bonds (distance) C4'-P energy: -55.485
bonds (distance) P-C4' energy: -77.267
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -49.228
tors. eta vs tors. theta energy: -38.677
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: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -458.517591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.517591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.517591 (E_RNA)
where:
Base-Base interactions energy: -202.190
where: short stacking energy: -117.876
Base-Backbone interact. energy: 0.993
local terms energy: -257.320461
where:
bonds (distance) C4'-P energy: -78.554
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -77.299
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -7.420
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: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -326.421416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.421416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.421416 (E_RNA)
where:
Base-Base interactions energy: -102.633
where: short stacking energy: -80.075
Base-Backbone interact. energy: -1.438
local terms energy: -222.350484
where:
bonds (distance) C4'-P energy: -63.024
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -58.469
flat angles P-C4'-P energy: -44.511
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: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -329.389861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.389861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.389861 (E_RNA)
where:
Base-Base interactions energy: -114.522
where: short stacking energy: -90.468
Base-Backbone interact. energy: -0.567
local terms energy: -214.300729
where:
bonds (distance) C4'-P energy: -76.409
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: 0.872
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: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1412.272693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.272693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.272693 (E_RNA)
where:
Base-Base interactions energy: -971.466
where: short stacking energy: -398.043
Base-Backbone interact. energy: -0.682
local terms energy: -440.125095
where:
bonds (distance) C4'-P energy: -78.772
bonds (distance) P-C4' energy: -79.352
flat angles C4'-P-C4' energy: -94.695
flat angles P-C4'-P energy: -65.022
tors. eta vs tors. theta energy: -122.285
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: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1311.110262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.110262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.110262 (E_RNA)
where:
Base-Base interactions energy: -892.574
where: short stacking energy: -373.562
Base-Backbone interact. energy: -1.336
local terms energy: -417.200279
where:
bonds (distance) C4'-P energy: -84.574
bonds (distance) P-C4' energy: -79.335
flat angles C4'-P-C4' energy: -88.205
flat angles P-C4'-P energy: -63.860
tors. eta vs tors. theta energy: -101.226
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: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1215.790364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.790364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.790364 (E_RNA)
where:
Base-Base interactions energy: -801.243
where: short stacking energy: -357.252
Base-Backbone interact. energy: -1.289
local terms energy: -413.258737
where:
bonds (distance) C4'-P energy: -79.905
bonds (distance) P-C4' energy: -80.316
flat angles C4'-P-C4' energy: -85.878
flat angles P-C4'-P energy: -54.029
tors. eta vs tors. theta energy: -113.131
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: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1079.942326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.942326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.942326 (E_RNA)
where:
Base-Base interactions energy: -716.800
where: short stacking energy: -293.559
Base-Backbone interact. energy: 6.080
local terms energy: -369.222364
where:
bonds (distance) C4'-P energy: -77.445
bonds (distance) P-C4' energy: -72.973
flat angles C4'-P-C4' energy: -75.597
flat angles P-C4'-P energy: -58.523
tors. eta vs tors. theta energy: -84.685
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: 148
Temperature: 1.100000
Total energy: -1127.752018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.752018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.752018 (E_RNA)
where:
Base-Base interactions energy: -768.345
where: short stacking energy: -321.074
Base-Backbone interact. energy: 0.425
local terms energy: -359.832170
where:
bonds (distance) C4'-P energy: -65.436
bonds (distance) P-C4' energy: -76.245
flat angles C4'-P-C4' energy: -77.994
flat angles P-C4'-P energy: -44.669
tors. eta vs tors. theta energy: -95.488
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: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -986.068586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.068586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.068586 (E_RNA)
where:
Base-Base interactions energy: -665.542
where: short stacking energy: -289.992
Base-Backbone interact. energy: -1.004
local terms energy: -319.523091
where:
bonds (distance) C4'-P energy: -61.008
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -76.679
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -71.780
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: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -697.391570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.391570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.391570 (E_RNA)
where:
Base-Base interactions energy: -410.552
where: short stacking energy: -210.174
Base-Backbone interact. energy: 0.092
local terms energy: -286.931643
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -66.141
flat angles C4'-P-C4' energy: -71.845
flat angles P-C4'-P energy: -42.430
tors. eta vs tors. theta energy: -39.055
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: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -451.987652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.987652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.987652 (E_RNA)
where:
Base-Base interactions energy: -216.182
where: short stacking energy: -126.548
Base-Backbone interact. energy: -2.273
local terms energy: -233.531853
where:
bonds (distance) C4'-P energy: -73.082
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -65.237
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -3.742
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: 148
Temperature: 1.300000
Total energy: -345.582521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.582521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.582521 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -118.174
Base-Backbone interact. energy: -0.613
local terms energy: -207.988023
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -75.769
flat angles C4'-P-C4' energy: -45.229
flat angles P-C4'-P energy: -23.079
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: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -306.199812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.199812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.199812 (E_RNA)
where:
Base-Base interactions energy: -103.125
where: short stacking energy: -97.478
Base-Backbone interact. energy: 1.157
local terms energy: -204.231040
where:
bonds (distance) C4'-P energy: -67.468
bonds (distance) P-C4' energy: -53.386
flat angles C4'-P-C4' energy: -63.109
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: 13.903
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: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1392.869518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.869518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.869518 (E_RNA)
where:
Base-Base interactions energy: -966.547
where: short stacking energy: -387.936
Base-Backbone interact. energy: -2.091
local terms energy: -424.231405
where:
bonds (distance) C4'-P energy: -78.263
bonds (distance) P-C4' energy: -82.586
flat angles C4'-P-C4' energy: -93.927
flat angles P-C4'-P energy: -50.447
tors. eta vs tors. theta energy: -119.008
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: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1326.713503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.713503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.713503 (E_RNA)
where:
Base-Base interactions energy: -893.495
where: short stacking energy: -371.112
Base-Backbone interact. energy: -1.067
local terms energy: -432.151124
where:
bonds (distance) C4'-P energy: -84.430
bonds (distance) P-C4' energy: -78.144
flat angles C4'-P-C4' energy: -91.480
flat angles P-C4'-P energy: -61.454
tors. eta vs tors. theta energy: -116.643
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: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1240.277904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.277904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.277904 (E_RNA)
where:
Base-Base interactions energy: -834.915
where: short stacking energy: -360.365
Base-Backbone interact. energy: -0.718
local terms energy: -404.645759
where:
bonds (distance) C4'-P energy: -68.631
bonds (distance) P-C4' energy: -83.622
flat angles C4'-P-C4' energy: -88.490
flat angles P-C4'-P energy: -53.075
tors. eta vs tors. theta energy: -110.828
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: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1115.109363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.109363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.109363 (E_RNA)
where:
Base-Base interactions energy: -747.009
where: short stacking energy: -339.588
Base-Backbone interact. energy: -0.313
local terms energy: -367.787903
where:
bonds (distance) C4'-P energy: -75.009
bonds (distance) P-C4' energy: -68.309
flat angles C4'-P-C4' energy: -82.911
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -99.319
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: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1065.305632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.305632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.305632 (E_RNA)
where:
Base-Base interactions energy: -711.809
where: short stacking energy: -294.505
Base-Backbone interact. energy: -1.757
local terms energy: -351.739492
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -69.285
flat angles C4'-P-C4' energy: -74.590
flat angles P-C4'-P energy: -45.102
tors. eta vs tors. theta energy: -87.986
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: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -994.225039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.225039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.225039 (E_RNA)
where:
Base-Base interactions energy: -655.739
where: short stacking energy: -283.931
Base-Backbone interact. energy: -0.121
local terms energy: -338.365074
where:
bonds (distance) C4'-P energy: -76.455
bonds (distance) P-C4' energy: -62.507
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -48.405
tors. eta vs tors. theta energy: -77.095
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: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -665.516091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.516091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.516091 (E_RNA)
where:
Base-Base interactions energy: -390.070
where: short stacking energy: -184.045
Base-Backbone interact. energy: -2.217
local terms energy: -273.229710
where:
bonds (distance) C4'-P energy: -71.735
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -47.991
tors. eta vs tors. theta energy: -31.807
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: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -472.357024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.357024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.357024 (E_RNA)
where:
Base-Base interactions energy: -211.537
where: short stacking energy: -125.675
Base-Backbone interact. energy: -1.266
local terms energy: -259.553996
where:
bonds (distance) C4'-P energy: -63.826
bonds (distance) P-C4' energy: -78.769
flat angles C4'-P-C4' energy: -60.818
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: -17.228
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: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -367.173433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.173433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.173433 (E_RNA)
where:
Base-Base interactions energy: -117.058
where: short stacking energy: -92.327
Base-Backbone interact. energy: -0.491
local terms energy: -249.624908
where:
bonds (distance) C4'-P energy: -73.114
bonds (distance) P-C4' energy: -80.900
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: 3.186
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -323.942906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.942906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.942906 (E_RNA)
where:
Base-Base interactions energy: -104.021
where: short stacking energy: -78.824
Base-Backbone interact. energy: -2.704
local terms energy: -217.218736
where:
bonds (distance) C4'-P energy: -63.282
bonds (distance) P-C4' energy: -73.072
flat angles C4'-P-C4' energy: -48.456
flat angles P-C4'-P energy: -41.502
tors. eta vs tors. theta energy: 9.094
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: 150
Temperature: 0.900000
Total energy: -1404.154574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.154574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.154574 (E_RNA)
where:
Base-Base interactions energy: -977.744
where: short stacking energy: -391.098
Base-Backbone interact. energy: -1.012
local terms energy: -425.399149
where:
bonds (distance) C4'-P energy: -74.380
bonds (distance) P-C4' energy: -74.260
flat angles C4'-P-C4' energy: -88.293
flat angles P-C4'-P energy: -62.073
tors. eta vs tors. theta energy: -126.394
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: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1302.396671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.396671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.396671 (E_RNA)
where:
Base-Base interactions energy: -899.230
where: short stacking energy: -384.252
Base-Backbone interact. energy: -1.645
local terms energy: -401.522104
where:
bonds (distance) C4'-P energy: -72.316
bonds (distance) P-C4' energy: -82.607
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -58.946
tors. eta vs tors. theta energy: -106.189
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: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1242.226415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.226415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.226415 (E_RNA)
where:
Base-Base interactions energy: -817.727
where: short stacking energy: -351.650
Base-Backbone interact. energy: -1.556
local terms energy: -422.943647
where:
bonds (distance) C4'-P energy: -84.260
bonds (distance) P-C4' energy: -83.417
flat angles C4'-P-C4' energy: -92.779
flat angles P-C4'-P energy: -61.154
tors. eta vs tors. theta energy: -101.333
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)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1136.560704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.560704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.560704 (E_RNA)
where:
Base-Base interactions energy: -742.610
where: short stacking energy: -321.783
Base-Backbone interact. energy: -1.952
local terms energy: -391.999263
where:
bonds (distance) C4'-P energy: -72.838
bonds (distance) P-C4' energy: -77.511
flat angles C4'-P-C4' energy: -89.505
flat angles P-C4'-P energy: -56.159
tors. eta vs tors. theta energy: -95.986
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: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1101.470436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.470436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.470436 (E_RNA)
where:
Base-Base interactions energy: -748.841
where: short stacking energy: -303.327
Base-Backbone interact. energy: -1.496
local terms energy: -351.133360
where:
bonds (distance) C4'-P energy: -63.482
bonds (distance) P-C4' energy: -70.875
flat angles C4'-P-C4' energy: -80.439
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -86.941
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: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -996.547553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.547553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.547553 (E_RNA)
where:
Base-Base interactions energy: -635.107
where: short stacking energy: -297.537
Base-Backbone interact. energy: -2.452
local terms energy: -358.988560
where:
bonds (distance) C4'-P energy: -72.141
bonds (distance) P-C4' energy: -82.033
flat angles C4'-P-C4' energy: -73.142
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -82.915
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: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -707.096835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.096835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.096835 (E_RNA)
where:
Base-Base interactions energy: -405.991
where: short stacking energy: -181.025
Base-Backbone interact. energy: -1.417
local terms energy: -299.689282
where:
bonds (distance) C4'-P energy: -67.034
bonds (distance) P-C4' energy: -83.569
flat angles C4'-P-C4' energy: -56.405
flat angles P-C4'-P energy: -51.484
tors. eta vs tors. theta energy: -41.197
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: 8, replica: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -464.124082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.124082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.124082 (E_RNA)
where:
Base-Base interactions energy: -210.879
where: short stacking energy: -133.633
Base-Backbone interact. energy: 1.237
local terms energy: -254.482397
where:
bonds (distance) C4'-P energy: -66.272
bonds (distance) P-C4' energy: -80.190
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -11.476
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: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -347.755592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.755592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.755592 (E_RNA)
where:
Base-Base interactions energy: -118.666
where: short stacking energy: -97.637
Base-Backbone interact. energy: 1.544
local terms energy: -230.633555
where:
bonds (distance) C4'-P energy: -61.948
bonds (distance) P-C4' energy: -68.306
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: 0.644
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: 150
Temperature: 1.350000
Total energy: -317.430923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.430923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.430923 (E_RNA)
where:
Base-Base interactions energy: -104.136
where: short stacking energy: -88.619
Base-Backbone interact. energy: 2.388
local terms energy: -215.682469
where:
bonds (distance) C4'-P energy: -72.974
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -66.509
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: 6.242
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: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1405.515378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.515378 (E_RNA)
where:
Base-Base interactions energy: -972.013
where: short stacking energy: -402.201
Base-Backbone interact. energy: -3.978
local terms energy: -429.524439
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -79.612
flat angles C4'-P-C4' energy: -95.129
flat angles P-C4'-P energy: -59.394
tors. eta vs tors. theta energy: -118.006
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: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1302.806922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.806922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.806922 (E_RNA)
where:
Base-Base interactions energy: -893.790
where: short stacking energy: -388.942
Base-Backbone interact. energy: -0.571
local terms energy: -408.446136
where:
bonds (distance) C4'-P energy: -72.966
bonds (distance) P-C4' energy: -81.936
flat angles C4'-P-C4' energy: -85.164
flat angles P-C4'-P energy: -62.955
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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1224.514171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.514171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.514171 (E_RNA)
where:
Base-Base interactions energy: -825.398
where: short stacking energy: -363.626
Base-Backbone interact. energy: -1.811
local terms energy: -397.304895
where:
bonds (distance) C4'-P energy: -85.618
bonds (distance) P-C4' energy: -65.639
flat angles C4'-P-C4' energy: -71.897
flat angles P-C4'-P energy: -60.186
tors. eta vs tors. theta energy: -113.964
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: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1114.446171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.446171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.446171 (E_RNA)
where:
Base-Base interactions energy: -732.283
where: short stacking energy: -337.894
Base-Backbone interact. energy: -1.549
local terms energy: -380.613570
where:
bonds (distance) C4'-P energy: -73.261
bonds (distance) P-C4' energy: -66.379
flat angles C4'-P-C4' energy: -85.547
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -104.936
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: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1098.068537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.068537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.068537 (E_RNA)
where:
Base-Base interactions energy: -742.651
where: short stacking energy: -310.880
Base-Backbone interact. energy: -1.991
local terms energy: -353.427018
where:
bonds (distance) C4'-P energy: -73.471
bonds (distance) P-C4' energy: -75.128
flat angles C4'-P-C4' energy: -74.814
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -88.182
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -975.479848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.479848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.479848 (E_RNA)
where:
Base-Base interactions energy: -654.253
where: short stacking energy: -284.123
Base-Backbone interact. energy: -0.609
local terms energy: -320.618426
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -54.713
flat angles C4'-P-C4' energy: -71.280
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -79.805
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: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -696.378227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.378227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.378227 (E_RNA)
where:
Base-Base interactions energy: -410.428
where: short stacking energy: -211.840
Base-Backbone interact. energy: -2.116
local terms energy: -283.833830
where:
bonds (distance) C4'-P energy: -74.417
bonds (distance) P-C4' energy: -57.234
flat angles C4'-P-C4' energy: -79.645
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -37.064
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: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -440.500487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.500487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.500487 (E_RNA)
where:
Base-Base interactions energy: -216.626
where: short stacking energy: -129.122
Base-Backbone interact. energy: 2.556
local terms energy: -226.431040
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -77.959
flat angles C4'-P-C4' energy: -42.550
flat angles P-C4'-P energy: -36.860
tors. eta vs tors. theta energy: -3.207
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: 151
Temperature: 1.300000
Total energy: -358.125909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.125909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.125909 (E_RNA)
where:
Base-Base interactions energy: -129.691
where: short stacking energy: -120.255
Base-Backbone interact. energy: 3.271
local terms energy: -231.706411
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -71.635
flat angles C4'-P-C4' energy: -56.997
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -12.855
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: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -320.308427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.308427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.308427 (E_RNA)
where:
Base-Base interactions energy: -118.754
where: short stacking energy: -81.195
Base-Backbone interact. energy: -1.266
local terms energy: -200.288006
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -67.536
flat angles C4'-P-C4' energy: -50.439
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: 2.888
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: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1412.412449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.412449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.412449 (E_RNA)
where:
Base-Base interactions energy: -988.737
where: short stacking energy: -401.751
Base-Backbone interact. energy: -1.970
local terms energy: -421.705404
where:
bonds (distance) C4'-P energy: -82.008
bonds (distance) P-C4' energy: -70.429
flat angles C4'-P-C4' energy: -87.530
flat angles P-C4'-P energy: -62.448
tors. eta vs tors. theta energy: -119.290
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: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1298.315176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.315176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.315176 (E_RNA)
where:
Base-Base interactions energy: -878.104
where: short stacking energy: -366.859
Base-Backbone interact. energy: -0.827
local terms energy: -419.383623
where:
bonds (distance) C4'-P energy: -78.815
bonds (distance) P-C4' energy: -78.418
flat angles C4'-P-C4' energy: -90.595
flat angles P-C4'-P energy: -63.269
tors. eta vs tors. theta energy: -108.286
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: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1244.513684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.513684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.513684 (E_RNA)
where:
Base-Base interactions energy: -837.534
where: short stacking energy: -378.402
Base-Backbone interact. energy: -0.480
local terms energy: -406.500115
where:
bonds (distance) C4'-P energy: -72.161
bonds (distance) P-C4' energy: -83.638
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -111.125
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: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1114.402412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.402412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.402412 (E_RNA)
where:
Base-Base interactions energy: -728.013
where: short stacking energy: -335.155
Base-Backbone interact. energy: -1.319
local terms energy: -385.070020
where:
bonds (distance) C4'-P energy: -68.710
bonds (distance) P-C4' energy: -75.055
flat angles C4'-P-C4' energy: -80.770
flat angles P-C4'-P energy: -56.527
tors. eta vs tors. theta energy: -104.009
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: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1071.553177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.553177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.553177 (E_RNA)
where:
Base-Base interactions energy: -734.699
where: short stacking energy: -301.022
Base-Backbone interact. energy: -1.194
local terms energy: -335.660200
where:
bonds (distance) C4'-P energy: -66.634
bonds (distance) P-C4' energy: -66.169
flat angles C4'-P-C4' energy: -79.110
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -78.972
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -987.733330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.733330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.733330 (E_RNA)
where:
Base-Base interactions energy: -660.139
where: short stacking energy: -286.163
Base-Backbone interact. energy: 0.418
local terms energy: -328.012651
where:
bonds (distance) C4'-P energy: -68.780
bonds (distance) P-C4' energy: -69.649
flat angles C4'-P-C4' energy: -80.244
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -68.604
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: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -717.910710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.910710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.910710 (E_RNA)
where:
Base-Base interactions energy: -436.999
where: short stacking energy: -208.855
Base-Backbone interact. energy: -0.324
local terms energy: -280.587682
where:
bonds (distance) C4'-P energy: -61.466
bonds (distance) P-C4' energy: -76.985
flat angles C4'-P-C4' energy: -70.220
flat angles P-C4'-P energy: -44.283
tors. eta vs tors. theta energy: -27.633
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: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -425.139202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.139202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.139202 (E_RNA)
where:
Base-Base interactions energy: -167.644
where: short stacking energy: -101.964
Base-Backbone interact. energy: -0.937
local terms energy: -256.557548
where:
bonds (distance) C4'-P energy: -69.630
bonds (distance) P-C4' energy: -77.282
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -45.751
tors. eta vs tors. theta energy: -0.387
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: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -355.706290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.706290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.706290 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -119.520
Base-Backbone interact. energy: 4.943
local terms energy: -225.817685
where:
bonds (distance) C4'-P energy: -60.068
bonds (distance) P-C4' energy: -69.028
flat angles C4'-P-C4' energy: -51.013
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -2.703
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: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -313.663935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.663935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.663935 (E_RNA)
where:
Base-Base interactions energy: -93.343
where: short stacking energy: -86.657
Base-Backbone interact. energy: 1.310
local terms energy: -221.630473
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -78.083
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: 8.835
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: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1414.357300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.357300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.357300 (E_RNA)
where:
Base-Base interactions energy: -974.912
where: short stacking energy: -401.599
Base-Backbone interact. energy: -3.104
local terms energy: -436.341004
where:
bonds (distance) C4'-P energy: -76.272
bonds (distance) P-C4' energy: -82.794
flat angles C4'-P-C4' energy: -90.224
flat angles P-C4'-P energy: -64.572
tors. eta vs tors. theta energy: -122.479
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: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1265.061575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.061575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.061575 (E_RNA)
where:
Base-Base interactions energy: -853.909
where: short stacking energy: -361.901
Base-Backbone interact. energy: -3.021
local terms energy: -408.131780
where:
bonds (distance) C4'-P energy: -78.178
bonds (distance) P-C4' energy: -72.892
flat angles C4'-P-C4' energy: -85.347
flat angles P-C4'-P energy: -60.059
tors. eta vs tors. theta energy: -111.657
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: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1239.532893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.532893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.532893 (E_RNA)
where:
Base-Base interactions energy: -824.572
where: short stacking energy: -380.135
Base-Backbone interact. energy: -1.782
local terms energy: -413.178319
where:
bonds (distance) C4'-P energy: -75.779
bonds (distance) P-C4' energy: -72.749
flat angles C4'-P-C4' energy: -85.379
flat angles P-C4'-P energy: -60.114
tors. eta vs tors. theta energy: -119.158
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: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1118.336644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.336644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.336644 (E_RNA)
where:
Base-Base interactions energy: -736.582
where: short stacking energy: -324.543
Base-Backbone interact. energy: -1.787
local terms energy: -379.968100
where:
bonds (distance) C4'-P energy: -70.260
bonds (distance) P-C4' energy: -79.515
flat angles C4'-P-C4' energy: -89.027
flat angles P-C4'-P energy: -51.262
tors. eta vs tors. theta energy: -89.904
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1044.094226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.094226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.094226 (E_RNA)
where:
Base-Base interactions energy: -726.805
where: short stacking energy: -283.062
Base-Backbone interact. energy: -1.848
local terms energy: -315.441524
where:
bonds (distance) C4'-P energy: -57.568
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -72.630
flat angles P-C4'-P energy: -53.076
tors. eta vs tors. theta energy: -61.876
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: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -951.039866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.039866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.039866 (E_RNA)
where:
Base-Base interactions energy: -617.676
where: short stacking energy: -260.961
Base-Backbone interact. energy: -2.756
local terms energy: -330.607162
where:
bonds (distance) C4'-P energy: -67.703
bonds (distance) P-C4' energy: -80.798
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -45.911
tors. eta vs tors. theta energy: -69.359
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -660.744482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.744482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.744482 (E_RNA)
where:
Base-Base interactions energy: -378.333
where: short stacking energy: -184.841
Base-Backbone interact. energy: -1.271
local terms energy: -281.141098
where:
bonds (distance) C4'-P energy: -80.838
bonds (distance) P-C4' energy: -73.723
flat angles C4'-P-C4' energy: -77.490
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -16.981
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: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -400.859938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.859938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.859938 (E_RNA)
where:
Base-Base interactions energy: -172.277
where: short stacking energy: -111.532
Base-Backbone interact. energy: -1.012
local terms energy: -227.570526
where:
bonds (distance) C4'-P energy: -74.763
bonds (distance) P-C4' energy: -70.034
flat angles C4'-P-C4' energy: -49.791
flat angles P-C4'-P energy: -31.857
tors. eta vs tors. theta energy: -1.126
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: 153
Temperature: 1.300000
Total energy: -327.683685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.683685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.683685 (E_RNA)
where:
Base-Base interactions energy: -115.937
where: short stacking energy: -93.174
Base-Backbone interact. energy: 0.222
local terms energy: -211.969671
where:
bonds (distance) C4'-P energy: -60.824
bonds (distance) P-C4' energy: -68.420
flat angles C4'-P-C4' energy: -60.847
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: 16.427
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: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -307.463034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.463034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.463034 (E_RNA)
where:
Base-Base interactions energy: -105.507
where: short stacking energy: -86.343
Base-Backbone interact. energy: 1.501
local terms energy: -203.457566
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -60.132
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: 2.820
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: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1408.125797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.125797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.125797 (E_RNA)
where:
Base-Base interactions energy: -972.138
where: short stacking energy: -410.771
Base-Backbone interact. energy: 0.208
local terms energy: -436.195475
where:
bonds (distance) C4'-P energy: -74.645
bonds (distance) P-C4' energy: -85.993
flat angles C4'-P-C4' energy: -88.085
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -129.012
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: 2, replica: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1266.978113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.978113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.978113 (E_RNA)
where:
Base-Base interactions energy: -861.478
where: short stacking energy: -366.361
Base-Backbone interact. energy: -2.903
local terms energy: -402.597660
where:
bonds (distance) C4'-P energy: -84.828
bonds (distance) P-C4' energy: -84.257
flat angles C4'-P-C4' energy: -86.258
flat angles P-C4'-P energy: -52.937
tors. eta vs tors. theta energy: -94.317
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: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1195.380389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.380389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.380389 (E_RNA)
where:
Base-Base interactions energy: -795.117
where: short stacking energy: -344.433
Base-Backbone interact. energy: -1.520
local terms energy: -398.743035
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -77.484
flat angles C4'-P-C4' energy: -85.894
flat angles P-C4'-P energy: -57.167
tors. eta vs tors. theta energy: -115.951
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: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1087.905712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.905712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.905712 (E_RNA)
where:
Base-Base interactions energy: -715.280
where: short stacking energy: -297.819
Base-Backbone interact. energy: -0.263
local terms energy: -372.362930
where:
bonds (distance) C4'-P energy: -77.556
bonds (distance) P-C4' energy: -71.836
flat angles C4'-P-C4' energy: -85.121
flat angles P-C4'-P energy: -55.515
tors. eta vs tors. theta energy: -82.335
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: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1071.558182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.558182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.558182 (E_RNA)
where:
Base-Base interactions energy: -725.234
where: short stacking energy: -291.202
Base-Backbone interact. energy: 0.897
local terms energy: -347.220641
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -73.343
flat angles C4'-P-C4' energy: -73.970
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -73.687
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: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -927.721810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.721810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.721810 (E_RNA)
where:
Base-Base interactions energy: -586.093
where: short stacking energy: -259.260
Base-Backbone interact. energy: -2.146
local terms energy: -339.482308
where:
bonds (distance) C4'-P energy: -66.253
bonds (distance) P-C4' energy: -67.227
flat angles C4'-P-C4' energy: -90.975
flat angles P-C4'-P energy: -43.160
tors. eta vs tors. theta energy: -71.867
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: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -666.904374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.904374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.904374 (E_RNA)
where:
Base-Base interactions energy: -400.250
where: short stacking energy: -194.284
Base-Backbone interact. energy: -0.876
local terms energy: -265.777885
where:
bonds (distance) C4'-P energy: -59.485
bonds (distance) P-C4' energy: -68.631
flat angles C4'-P-C4' energy: -56.687
flat angles P-C4'-P energy: -42.217
tors. eta vs tors. theta energy: -38.758
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -398.338359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.338359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.338359 (E_RNA)
where:
Base-Base interactions energy: -156.873
where: short stacking energy: -118.437
Base-Backbone interact. energy: -2.617
local terms energy: -238.848829
where:
bonds (distance) C4'-P energy: -63.121
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -74.970
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: 1.745
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: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -330.657337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.657337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.657337 (E_RNA)
where:
Base-Base interactions energy: -110.466
where: short stacking energy: -96.327
Base-Backbone interact. energy: 0.890
local terms energy: -221.081376
where:
bonds (distance) C4'-P energy: -68.702
bonds (distance) P-C4' energy: -63.255
flat angles C4'-P-C4' energy: -58.245
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: 10.473
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: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -324.522959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.522959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.522959 (E_RNA)
where:
Base-Base interactions energy: -115.415
where: short stacking energy: -95.110
Base-Backbone interact. energy: 1.794
local terms energy: -210.901778
where:
bonds (distance) C4'-P energy: -68.744
bonds (distance) P-C4' energy: -71.829
flat angles C4'-P-C4' energy: -49.854
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: 15.453
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: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1408.828028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.828028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.828028 (E_RNA)
where:
Base-Base interactions energy: -976.589
where: short stacking energy: -412.447
Base-Backbone interact. energy: 2.073
local terms energy: -434.312447
where:
bonds (distance) C4'-P energy: -79.053
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -92.205
flat angles P-C4'-P energy: -60.153
tors. eta vs tors. theta energy: -125.522
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: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1287.238242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.238242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.238242 (E_RNA)
where:
Base-Base interactions energy: -868.765
where: short stacking energy: -351.280
Base-Backbone interact. energy: -1.804
local terms energy: -416.669228
where:
bonds (distance) C4'-P energy: -76.993
bonds (distance) P-C4' energy: -83.073
flat angles C4'-P-C4' energy: -87.122
flat angles P-C4'-P energy: -59.990
tors. eta vs tors. theta energy: -109.491
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: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1238.702510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.702510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.702510 (E_RNA)
where:
Base-Base interactions energy: -823.586
where: short stacking energy: -375.966
Base-Backbone interact. energy: -2.699
local terms energy: -412.417456
where:
bonds (distance) C4'-P energy: -72.804
bonds (distance) P-C4' energy: -87.594
flat angles C4'-P-C4' energy: -79.041
flat angles P-C4'-P energy: -57.506
tors. eta vs tors. theta energy: -115.473
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: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1098.138538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.138538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.138538 (E_RNA)
where:
Base-Base interactions energy: -721.365
where: short stacking energy: -330.235
Base-Backbone interact. energy: -0.061
local terms energy: -376.712525
where:
bonds (distance) C4'-P energy: -76.018
bonds (distance) P-C4' energy: -69.770
flat angles C4'-P-C4' energy: -76.885
flat angles P-C4'-P energy: -57.214
tors. eta vs tors. theta energy: -96.826
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: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1052.795867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.795867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.795867 (E_RNA)
where:
Base-Base interactions energy: -727.127
where: short stacking energy: -303.344
Base-Backbone interact. energy: -2.341
local terms energy: -323.327740
where:
bonds (distance) C4'-P energy: -66.468
bonds (distance) P-C4' energy: -65.153
flat angles C4'-P-C4' energy: -75.810
flat angles P-C4'-P energy: -42.237
tors. eta vs tors. theta energy: -73.660
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: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -923.553699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.553699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.553699 (E_RNA)
where:
Base-Base interactions energy: -588.303
where: short stacking energy: -278.944
Base-Backbone interact. energy: -3.036
local terms energy: -332.214957
where:
bonds (distance) C4'-P energy: -66.407
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -84.450
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -77.299
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: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -679.547926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.547926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.547926 (E_RNA)
where:
Base-Base interactions energy: -398.272
where: short stacking energy: -206.901
Base-Backbone interact. energy: -1.159
local terms energy: -280.116991
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -78.652
flat angles C4'-P-C4' energy: -66.385
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -31.692
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: 155
Temperature: 1.250000
Total energy: -412.206699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.206699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.206699 (E_RNA)
where:
Base-Base interactions energy: -154.338
where: short stacking energy: -116.661
Base-Backbone interact. energy: -2.206
local terms energy: -255.663245
where:
bonds (distance) C4'-P energy: -85.273
bonds (distance) P-C4' energy: -68.913
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -6.018
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -325.232141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.232141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.232141 (E_RNA)
where:
Base-Base interactions energy: -118.478
where: short stacking energy: -87.011
Base-Backbone interact. energy: -2.602
local terms energy: -204.152158
where:
bonds (distance) C4'-P energy: -57.509
bonds (distance) P-C4' energy: -75.501
flat angles C4'-P-C4' energy: -54.637
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: 10.460
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: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -326.709193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.709193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.709193 (E_RNA)
where:
Base-Base interactions energy: -109.637
where: short stacking energy: -85.268
Base-Backbone interact. energy: -1.974
local terms energy: -215.098007
where:
bonds (distance) C4'-P energy: -62.117
bonds (distance) P-C4' energy: -66.275
flat angles C4'-P-C4' energy: -58.587
flat angles P-C4'-P energy: -32.321
tors. eta vs tors. theta energy: 4.203
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: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1410.394579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.394579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.394579 (E_RNA)
where:
Base-Base interactions energy: -980.893
where: short stacking energy: -398.222
Base-Backbone interact. energy: -1.338
local terms energy: -428.163507
where:
bonds (distance) C4'-P energy: -75.617
bonds (distance) P-C4' energy: -78.669
flat angles C4'-P-C4' energy: -92.790
flat angles P-C4'-P energy: -56.347
tors. eta vs tors. theta energy: -124.741
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: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1331.459790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.459790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.459790 (E_RNA)
where:
Base-Base interactions energy: -896.823
where: short stacking energy: -372.299
Base-Backbone interact. energy: -2.879
local terms energy: -431.758205
where:
bonds (distance) C4'-P energy: -82.381
bonds (distance) P-C4' energy: -82.705
flat angles C4'-P-C4' energy: -85.639
flat angles P-C4'-P energy: -69.372
tors. eta vs tors. theta energy: -111.662
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: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1202.947600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.947600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.947600 (E_RNA)
where:
Base-Base interactions energy: -780.630
where: short stacking energy: -360.598
Base-Backbone interact. energy: -0.501
local terms energy: -421.816792
where:
bonds (distance) C4'-P energy: -83.107
bonds (distance) P-C4' energy: -89.125
flat angles C4'-P-C4' energy: -84.887
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: -113.234
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: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1099.541291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.541291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.541291 (E_RNA)
where:
Base-Base interactions energy: -743.124
where: short stacking energy: -325.893
Base-Backbone interact. energy: -4.004
local terms energy: -352.413562
where:
bonds (distance) C4'-P energy: -61.569
bonds (distance) P-C4' energy: -80.697
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -54.462
tors. eta vs tors. theta energy: -87.494
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: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1038.515403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.515403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.515403 (E_RNA)
where:
Base-Base interactions energy: -688.731
where: short stacking energy: -292.984
Base-Backbone interact. energy: -0.647
local terms energy: -349.137400
where:
bonds (distance) C4'-P energy: -76.208
bonds (distance) P-C4' energy: -75.588
flat angles C4'-P-C4' energy: -72.559
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -80.246
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: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -916.940581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.940581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.940581 (E_RNA)
where:
Base-Base interactions energy: -569.770
where: short stacking energy: -273.326
Base-Backbone interact. energy: -1.964
local terms energy: -345.207069
where:
bonds (distance) C4'-P energy: -80.398
bonds (distance) P-C4' energy: -66.857
flat angles C4'-P-C4' energy: -71.980
flat angles P-C4'-P energy: -50.076
tors. eta vs tors. theta energy: -75.896
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: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -626.765791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.765791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.765791 (E_RNA)
where:
Base-Base interactions energy: -364.493
where: short stacking energy: -179.303
Base-Backbone interact. energy: 1.426
local terms energy: -263.697945
where:
bonds (distance) C4'-P energy: -66.108
bonds (distance) P-C4' energy: -72.587
flat angles C4'-P-C4' energy: -70.344
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -21.131
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: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -376.855100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.855100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.855100 (E_RNA)
where:
Base-Base interactions energy: -134.582
where: short stacking energy: -105.537
Base-Backbone interact. energy: -1.244
local terms energy: -241.029304
where:
bonds (distance) C4'-P energy: -62.173
bonds (distance) P-C4' energy: -73.892
flat angles C4'-P-C4' energy: -68.456
flat angles P-C4'-P energy: -35.782
tors. eta vs tors. theta energy: -0.727
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: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -325.454872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.454872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.454872 (E_RNA)
where:
Base-Base interactions energy: -122.946
where: short stacking energy: -95.960
Base-Backbone interact. energy: -1.942
local terms energy: -200.566587
where:
bonds (distance) C4'-P energy: -74.253
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -48.632
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: 9.020
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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -306.621682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.621682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.621682 (E_RNA)
where:
Base-Base interactions energy: -88.956
where: short stacking energy: -66.909
Base-Backbone interact. energy: -1.090
local terms energy: -216.575618
where:
bonds (distance) C4'-P energy: -65.584
bonds (distance) P-C4' energy: -64.114
flat angles C4'-P-C4' energy: -55.633
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: 11.304
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: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1397.884309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.884309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.884309 (E_RNA)
where:
Base-Base interactions energy: -968.043
where: short stacking energy: -386.754
Base-Backbone interact. energy: -1.763
local terms energy: -428.077870
where:
bonds (distance) C4'-P energy: -80.467
bonds (distance) P-C4' energy: -86.917
flat angles C4'-P-C4' energy: -91.403
flat angles P-C4'-P energy: -59.663
tors. eta vs tors. theta energy: -109.627
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: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1303.731774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.731774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.731774 (E_RNA)
where:
Base-Base interactions energy: -885.324
where: short stacking energy: -384.913
Base-Backbone interact. energy: -1.270
local terms energy: -417.137978
where:
bonds (distance) C4'-P energy: -78.481
bonds (distance) P-C4' energy: -76.491
flat angles C4'-P-C4' energy: -91.891
flat angles P-C4'-P energy: -55.256
tors. eta vs tors. theta energy: -115.019
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: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1205.427349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.427349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.427349 (E_RNA)
where:
Base-Base interactions energy: -808.533
where: short stacking energy: -348.424
Base-Backbone interact. energy: -2.140
local terms energy: -394.753630
where:
bonds (distance) C4'-P energy: -74.256
bonds (distance) P-C4' energy: -78.493
flat angles C4'-P-C4' energy: -96.640
flat angles P-C4'-P energy: -40.601
tors. eta vs tors. theta energy: -104.763
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: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1085.094521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.094521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.094521 (E_RNA)
where:
Base-Base interactions energy: -723.721
where: short stacking energy: -313.994
Base-Backbone interact. energy: -1.145
local terms energy: -360.228649
where:
bonds (distance) C4'-P energy: -72.751
bonds (distance) P-C4' energy: -75.741
flat angles C4'-P-C4' energy: -81.880
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -93.550
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: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1052.405507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.405507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.405507 (E_RNA)
where:
Base-Base interactions energy: -715.964
where: short stacking energy: -288.028
Base-Backbone interact. energy: 0.476
local terms energy: -336.918207
where:
bonds (distance) C4'-P energy: -72.120
bonds (distance) P-C4' energy: -71.312
flat angles C4'-P-C4' energy: -75.030
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -80.113
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: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -953.807996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.807996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.807996 (E_RNA)
where:
Base-Base interactions energy: -620.559
where: short stacking energy: -258.195
Base-Backbone interact. energy: -0.818
local terms energy: -332.431685
where:
bonds (distance) C4'-P energy: -77.998
bonds (distance) P-C4' energy: -75.039
flat angles C4'-P-C4' energy: -77.179
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: -67.588
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: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -713.034710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.034710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.034710 (E_RNA)
where:
Base-Base interactions energy: -444.392
where: short stacking energy: -210.301
Base-Backbone interact. energy: 2.908
local terms energy: -271.550202
where:
bonds (distance) C4'-P energy: -71.261
bonds (distance) P-C4' energy: -70.759
flat angles C4'-P-C4' energy: -58.581
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -39.774
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: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -392.968149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.968149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.968149 (E_RNA)
where:
Base-Base interactions energy: -158.758
where: short stacking energy: -102.934
Base-Backbone interact. energy: 2.403
local terms energy: -236.613254
where:
bonds (distance) C4'-P energy: -69.382
bonds (distance) P-C4' energy: -72.264
flat angles C4'-P-C4' energy: -69.486
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: 1.303
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: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -346.975110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.975110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.975110 (E_RNA)
where:
Base-Base interactions energy: -102.726
where: short stacking energy: -96.168
Base-Backbone interact. energy: -0.177
local terms energy: -244.071577
where:
bonds (distance) C4'-P energy: -70.948
bonds (distance) P-C4' energy: -75.770
flat angles C4'-P-C4' energy: -59.582
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: 6.807
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: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -303.496754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.496754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.496754 (E_RNA)
where:
Base-Base interactions energy: -86.801
where: short stacking energy: -68.232
Base-Backbone interact. energy: -1.474
local terms energy: -215.222409
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -67.701
flat angles C4'-P-C4' energy: -65.243
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: 26.992
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: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1416.752300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.752300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.752300 (E_RNA)
where:
Base-Base interactions energy: -970.752
where: short stacking energy: -397.910
Base-Backbone interact. energy: -2.420
local terms energy: -443.580040
where:
bonds (distance) C4'-P energy: -89.906
bonds (distance) P-C4' energy: -79.204
flat angles C4'-P-C4' energy: -90.937
flat angles P-C4'-P energy: -61.783
tors. eta vs tors. theta energy: -121.750
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: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1333.466162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.466162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.466162 (E_RNA)
where:
Base-Base interactions energy: -939.056
where: short stacking energy: -382.428
Base-Backbone interact. energy: -0.061
local terms energy: -394.349679
where:
bonds (distance) C4'-P energy: -68.389
bonds (distance) P-C4' energy: -73.668
flat angles C4'-P-C4' energy: -89.377
flat angles P-C4'-P energy: -54.744
tors. eta vs tors. theta energy: -108.172
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: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1180.903143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.903143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.903143 (E_RNA)
where:
Base-Base interactions energy: -794.816
where: short stacking energy: -353.475
Base-Backbone interact. energy: -0.960
local terms energy: -385.127222
where:
bonds (distance) C4'-P energy: -70.771
bonds (distance) P-C4' energy: -77.149
flat angles C4'-P-C4' energy: -81.233
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -102.782
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1064.996269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.996269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.996269 (E_RNA)
where:
Base-Base interactions energy: -689.894
where: short stacking energy: -299.157
Base-Backbone interact. energy: -0.425
local terms energy: -374.677281
where:
bonds (distance) C4'-P energy: -82.315
bonds (distance) P-C4' energy: -71.502
flat angles C4'-P-C4' energy: -81.293
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -85.449
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: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1022.992901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.992901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.992901 (E_RNA)
where:
Base-Base interactions energy: -662.488
where: short stacking energy: -277.719
Base-Backbone interact. energy: -1.061
local terms energy: -359.443861
where:
bonds (distance) C4'-P energy: -81.265
bonds (distance) P-C4' energy: -69.578
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -51.458
tors. eta vs tors. theta energy: -84.766
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: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -908.748328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.748328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.748328 (E_RNA)
where:
Base-Base interactions energy: -583.761
where: short stacking energy: -238.026
Base-Backbone interact. energy: -2.392
local terms energy: -322.596095
where:
bonds (distance) C4'-P energy: -64.572
bonds (distance) P-C4' energy: -67.692
flat angles C4'-P-C4' energy: -70.399
flat angles P-C4'-P energy: -49.882
tors. eta vs tors. theta energy: -70.051
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: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -817.985983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.985983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.985983 (E_RNA)
where:
Base-Base interactions energy: -510.911
where: short stacking energy: -211.983
Base-Backbone interact. energy: -0.227
local terms energy: -306.847903
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -72.631
flat angles C4'-P-C4' energy: -86.711
flat angles P-C4'-P energy: -35.477
tors. eta vs tors. theta energy: -49.398
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: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -430.358298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.358298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.358298 (E_RNA)
where:
Base-Base interactions energy: -209.180
where: short stacking energy: -110.092
Base-Backbone interact. energy: 0.637
local terms energy: -221.814537
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -76.294
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: 9.712
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: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -355.113788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.113788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.113788 (E_RNA)
where:
Base-Base interactions energy: -126.436
where: short stacking energy: -93.519
Base-Backbone interact. energy: -0.824
local terms energy: -227.854552
where:
bonds (distance) C4'-P energy: -64.121
bonds (distance) P-C4' energy: -82.236
flat angles C4'-P-C4' energy: -41.952
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: 3.518
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: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -298.249568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.249568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.249568 (E_RNA)
where:
Base-Base interactions energy: -100.683
where: short stacking energy: -89.945
Base-Backbone interact. energy: 0.981
local terms energy: -198.546774
where:
bonds (distance) C4'-P energy: -53.837
bonds (distance) P-C4' energy: -70.839
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: 14.306
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: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1408.328129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.328129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.328129 (E_RNA)
where:
Base-Base interactions energy: -961.254
where: short stacking energy: -396.407
Base-Backbone interact. energy: -3.281
local terms energy: -443.793024
where:
bonds (distance) C4'-P energy: -89.247
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -89.384
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -120.452
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: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1336.200150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.200150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.200150 (E_RNA)
where:
Base-Base interactions energy: -934.722
where: short stacking energy: -381.256
Base-Backbone interact. energy: -0.979
local terms energy: -400.498356
where:
bonds (distance) C4'-P energy: -75.829
bonds (distance) P-C4' energy: -72.356
flat angles C4'-P-C4' energy: -87.949
flat angles P-C4'-P energy: -54.088
tors. eta vs tors. theta energy: -110.276
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: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1199.342636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.342636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.342636 (E_RNA)
where:
Base-Base interactions energy: -799.856
where: short stacking energy: -356.305
Base-Backbone interact. energy: -3.551
local terms energy: -395.935721
where:
bonds (distance) C4'-P energy: -76.847
bonds (distance) P-C4' energy: -72.134
flat angles C4'-P-C4' energy: -89.028
flat angles P-C4'-P energy: -60.619
tors. eta vs tors. theta energy: -97.308
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: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1150.350239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.350239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.350239 (E_RNA)
where:
Base-Base interactions energy: -734.033
where: short stacking energy: -341.084
Base-Backbone interact. energy: -1.886
local terms energy: -414.430757
where:
bonds (distance) C4'-P energy: -72.540
bonds (distance) P-C4' energy: -79.713
flat angles C4'-P-C4' energy: -89.005
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: -115.682
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: 159
Temperature: 1.100000
Total energy: -1064.608831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.608831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.608831 (E_RNA)
where:
Base-Base interactions energy: -733.866
where: short stacking energy: -286.822
Base-Backbone interact. energy: -3.466
local terms energy: -327.276752
where:
bonds (distance) C4'-P energy: -71.555
bonds (distance) P-C4' energy: -72.444
flat angles C4'-P-C4' energy: -65.007
flat angles P-C4'-P energy: -36.836
tors. eta vs tors. theta energy: -81.436
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: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -913.311648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.311648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.311648 (E_RNA)
where:
Base-Base interactions energy: -582.238
where: short stacking energy: -277.175
Base-Backbone interact. energy: -2.600
local terms energy: -328.473264
where:
bonds (distance) C4'-P energy: -75.954
bonds (distance) P-C4' energy: -77.290
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -49.246
tors. eta vs tors. theta energy: -66.351
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: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -821.170210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.170210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.170210 (E_RNA)
where:
Base-Base interactions energy: -519.905
where: short stacking energy: -232.084
Base-Backbone interact. energy: 0.504
local terms energy: -301.769293
where:
bonds (distance) C4'-P energy: -51.038
bonds (distance) P-C4' energy: -78.115
flat angles C4'-P-C4' energy: -77.461
flat angles P-C4'-P energy: -50.010
tors. eta vs tors. theta energy: -45.145
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: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -434.653898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.653898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.653898 (E_RNA)
where:
Base-Base interactions energy: -193.829
where: short stacking energy: -125.140
Base-Backbone interact. energy: -1.450
local terms energy: -239.374850
where:
bonds (distance) C4'-P energy: -69.304
bonds (distance) P-C4' energy: -71.422
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -37.074
tors. eta vs tors. theta energy: 1.242
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: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -341.683566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.683566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.683566 (E_RNA)
where:
Base-Base interactions energy: -123.275
where: short stacking energy: -84.192
Base-Backbone interact. energy: -0.108
local terms energy: -218.300357
where:
bonds (distance) C4'-P energy: -64.058
bonds (distance) P-C4' energy: -69.909
flat angles C4'-P-C4' energy: -53.906
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: 13.378
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: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -316.157320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.157320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.157320 (E_RNA)
where:
Base-Base interactions energy: -122.275
where: short stacking energy: -104.782
Base-Backbone interact. energy: 0.121
local terms energy: -194.003255
where:
bonds (distance) C4'-P energy: -69.921
bonds (distance) P-C4' energy: -66.505
flat angles C4'-P-C4' energy: -33.546
flat angles P-C4'-P energy: -33.219
tors. eta vs tors. theta energy: 9.189
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: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1394.004608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.004608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.004608 (E_RNA)
where:
Base-Base interactions energy: -969.224
where: short stacking energy: -394.750
Base-Backbone interact. energy: 0.771
local terms energy: -425.552096
where:
bonds (distance) C4'-P energy: -75.075
bonds (distance) P-C4' energy: -77.248
flat angles C4'-P-C4' energy: -93.728
flat angles P-C4'-P energy: -56.526
tors. eta vs tors. theta energy: -122.975
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: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1323.558045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.558045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.558045 (E_RNA)
where:
Base-Base interactions energy: -916.775
where: short stacking energy: -368.048
Base-Backbone interact. energy: 4.485
local terms energy: -411.268340
where:
bonds (distance) C4'-P energy: -72.463
bonds (distance) P-C4' energy: -79.062
flat angles C4'-P-C4' energy: -94.526
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -105.037
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: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1219.039297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.039297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.039297 (E_RNA)
where:
Base-Base interactions energy: -807.742
where: short stacking energy: -373.618
Base-Backbone interact. energy: 1.940
local terms energy: -413.237602
where:
bonds (distance) C4'-P energy: -74.258
bonds (distance) P-C4' energy: -75.692
flat angles C4'-P-C4' energy: -86.596
flat angles P-C4'-P energy: -58.972
tors. eta vs tors. theta energy: -117.719
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1069.720177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.720177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.720177 (E_RNA)
where:
Base-Base interactions energy: -719.514
where: short stacking energy: -324.657
Base-Backbone interact. energy: -2.147
local terms energy: -348.059504
where:
bonds (distance) C4'-P energy: -72.530
bonds (distance) P-C4' energy: -61.024
flat angles C4'-P-C4' energy: -65.710
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -101.547
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: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1017.591689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.591689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.591689 (E_RNA)
where:
Base-Base interactions energy: -663.542
where: short stacking energy: -294.799
Base-Backbone interact. energy: -2.516
local terms energy: -351.533372
where:
bonds (distance) C4'-P energy: -77.802
bonds (distance) P-C4' energy: -72.338
flat angles C4'-P-C4' energy: -70.420
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -85.685
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: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -930.278387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.278387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.278387 (E_RNA)
where:
Base-Base interactions energy: -597.019
where: short stacking energy: -260.437
Base-Backbone interact. energy: 0.854
local terms energy: -334.113215
where:
bonds (distance) C4'-P energy: -74.112
bonds (distance) P-C4' energy: -70.671
flat angles C4'-P-C4' energy: -73.123
flat angles P-C4'-P energy: -47.345
tors. eta vs tors. theta energy: -68.863
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: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -903.857163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.857163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.857163 (E_RNA)
where:
Base-Base interactions energy: -595.992
where: short stacking energy: -252.420
Base-Backbone interact. energy: -0.018
local terms energy: -307.846999
where:
bonds (distance) C4'-P energy: -67.473
bonds (distance) P-C4' energy: -45.259
flat angles C4'-P-C4' energy: -73.737
flat angles P-C4'-P energy: -45.201
tors. eta vs tors. theta energy: -76.178
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: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -471.807716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.807716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.807716 (E_RNA)
where:
Base-Base interactions energy: -228.345
where: short stacking energy: -140.175
Base-Backbone interact. energy: 0.538
local terms energy: -244.000355
where:
bonds (distance) C4'-P energy: -65.448
bonds (distance) P-C4' energy: -60.528
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -16.336
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: 160
Temperature: 1.300000
Total energy: -367.053549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.053549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.053549 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -98.771
Base-Backbone interact. energy: -0.639
local terms energy: -233.617581
where:
bonds (distance) C4'-P energy: -68.959
bonds (distance) P-C4' energy: -74.322
flat angles C4'-P-C4' energy: -57.701
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: 3.641
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: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -340.003347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.003347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.003347 (E_RNA)
where:
Base-Base interactions energy: -123.545
where: short stacking energy: -89.309
Base-Backbone interact. energy: -2.292
local terms energy: -214.166440
where:
bonds (distance) C4'-P energy: -71.913
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -48.665
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: 3.463
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: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1400.241511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.241511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.241511 (E_RNA)
where:
Base-Base interactions energy: -970.745
where: short stacking energy: -398.783
Base-Backbone interact. energy: -2.613
local terms energy: -426.883179
where:
bonds (distance) C4'-P energy: -78.390
bonds (distance) P-C4' energy: -78.823
flat angles C4'-P-C4' energy: -88.893
flat angles P-C4'-P energy: -63.073
tors. eta vs tors. theta energy: -117.705
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: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1330.804109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.804109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.804109 (E_RNA)
where:
Base-Base interactions energy: -926.638
where: short stacking energy: -381.045
Base-Backbone interact. energy: 4.579
local terms energy: -408.745691
where:
bonds (distance) C4'-P energy: -78.741
bonds (distance) P-C4' energy: -74.533
flat angles C4'-P-C4' energy: -88.223
flat angles P-C4'-P energy: -58.877
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: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1227.140748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.140748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.140748 (E_RNA)
where:
Base-Base interactions energy: -820.649
where: short stacking energy: -384.136
Base-Backbone interact. energy: 0.602
local terms energy: -407.093943
where:
bonds (distance) C4'-P energy: -78.393
bonds (distance) P-C4' energy: -71.769
flat angles C4'-P-C4' energy: -77.761
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: -115.411
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: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1072.345202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.345202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.345202 (E_RNA)
where:
Base-Base interactions energy: -711.493
where: short stacking energy: -312.487
Base-Backbone interact. energy: -1.614
local terms energy: -359.239064
where:
bonds (distance) C4'-P energy: -67.631
bonds (distance) P-C4' energy: -79.973
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -53.701
tors. eta vs tors. theta energy: -84.068
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: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1003.246760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.246760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.246760 (E_RNA)
where:
Base-Base interactions energy: -639.150
where: short stacking energy: -280.039
Base-Backbone interact. energy: -2.969
local terms energy: -361.128001
where:
bonds (distance) C4'-P energy: -69.405
bonds (distance) P-C4' energy: -80.783
flat angles C4'-P-C4' energy: -78.464
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -87.168
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: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -936.498180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.498180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.498180 (E_RNA)
where:
Base-Base interactions energy: -613.714
where: short stacking energy: -270.414
Base-Backbone interact. energy: 3.332
local terms energy: -326.115918
where:
bonds (distance) C4'-P energy: -73.804
bonds (distance) P-C4' energy: -71.792
flat angles C4'-P-C4' energy: -66.399
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -68.564
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: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -807.709542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.709542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.709542 (E_RNA)
where:
Base-Base interactions energy: -514.970
where: short stacking energy: -219.695
Base-Backbone interact. energy: -1.610
local terms energy: -291.129634
where:
bonds (distance) C4'-P energy: -73.642
bonds (distance) P-C4' energy: -61.177
flat angles C4'-P-C4' energy: -63.951
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -49.176
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: 161
Temperature: 1.250000
Total energy: -452.989925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.989925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.989925 (E_RNA)
where:
Base-Base interactions energy: -179.880
where: short stacking energy: -110.790
Base-Backbone interact. energy: -1.669
local terms energy: -271.441839
where:
bonds (distance) C4'-P energy: -80.053
bonds (distance) P-C4' energy: -70.152
flat angles C4'-P-C4' energy: -65.168
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -11.505
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: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -340.485302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.485302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.485302 (E_RNA)
where:
Base-Base interactions energy: -129.292
where: short stacking energy: -107.501
Base-Backbone interact. energy: 0.464
local terms energy: -211.657985
where:
bonds (distance) C4'-P energy: -67.223
bonds (distance) P-C4' energy: -63.694
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: 6.589
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: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -320.162328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.162328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.162328 (E_RNA)
where:
Base-Base interactions energy: -99.462
where: short stacking energy: -83.370
Base-Backbone interact. energy: -1.380
local terms energy: -219.319559
where:
bonds (distance) C4'-P energy: -72.909
bonds (distance) P-C4' energy: -81.084
flat angles C4'-P-C4' energy: -42.117
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: 10.022
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: 162
Temperature: 0.900000
Total energy: -1418.823745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.823745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.823745 (E_RNA)
where:
Base-Base interactions energy: -976.554
where: short stacking energy: -390.159
Base-Backbone interact. energy: -3.979
local terms energy: -438.290589
where:
bonds (distance) C4'-P energy: -81.355
bonds (distance) P-C4' energy: -78.942
flat angles C4'-P-C4' energy: -95.121
flat angles P-C4'-P energy: -63.028
tors. eta vs tors. theta energy: -119.845
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: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1329.015647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.015647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.015647 (E_RNA)
where:
Base-Base interactions energy: -929.736
where: short stacking energy: -391.359
Base-Backbone interact. energy: 0.272
local terms energy: -399.551373
where:
bonds (distance) C4'-P energy: -78.212
bonds (distance) P-C4' energy: -69.907
flat angles C4'-P-C4' energy: -82.447
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -112.792
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: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1228.300419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.300419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.300419 (E_RNA)
where:
Base-Base interactions energy: -809.505
where: short stacking energy: -362.663
Base-Backbone interact. energy: -2.221
local terms energy: -416.574699
where:
bonds (distance) C4'-P energy: -68.724
bonds (distance) P-C4' energy: -76.334
flat angles C4'-P-C4' energy: -99.491
flat angles P-C4'-P energy: -62.111
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: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1102.961657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.961657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.961657 (E_RNA)
where:
Base-Base interactions energy: -717.788
where: short stacking energy: -341.200
Base-Backbone interact. energy: -0.189
local terms energy: -384.984738
where:
bonds (distance) C4'-P energy: -73.365
bonds (distance) P-C4' energy: -67.801
flat angles C4'-P-C4' energy: -85.227
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -106.056
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: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1062.047529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.047529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.047529 (E_RNA)
where:
Base-Base interactions energy: -722.560
where: short stacking energy: -297.844
Base-Backbone interact. energy: 0.733
local terms energy: -340.221171
where:
bonds (distance) C4'-P energy: -62.218
bonds (distance) P-C4' energy: -77.406
flat angles C4'-P-C4' energy: -76.395
flat angles P-C4'-P energy: -36.732
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: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -956.833495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.833495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.833495 (E_RNA)
where:
Base-Base interactions energy: -634.085
where: short stacking energy: -279.963
Base-Backbone interact. energy: -1.451
local terms energy: -321.297242
where:
bonds (distance) C4'-P energy: -52.745
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -78.332
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -88.833
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: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -885.154748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.154748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.154748 (E_RNA)
where:
Base-Base interactions energy: -572.108
where: short stacking energy: -226.768
Base-Backbone interact. energy: -1.999
local terms energy: -311.047867
where:
bonds (distance) C4'-P energy: -61.115
bonds (distance) P-C4' energy: -72.503
flat angles C4'-P-C4' energy: -72.060
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -59.664
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: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -462.087426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.087426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.087426 (E_RNA)
where:
Base-Base interactions energy: -236.809
where: short stacking energy: -127.086
Base-Backbone interact. energy: -0.417
local terms energy: -224.861139
where:
bonds (distance) C4'-P energy: -70.069
bonds (distance) P-C4' energy: -58.632
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: 3.443
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: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -345.824906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.824906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.824906 (E_RNA)
where:
Base-Base interactions energy: -127.758
where: short stacking energy: -106.471
Base-Backbone interact. energy: -0.161
local terms energy: -217.905808
where:
bonds (distance) C4'-P energy: -55.062
bonds (distance) P-C4' energy: -67.128
flat angles C4'-P-C4' energy: -67.374
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: 4.376
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: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -330.265830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.265830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.265830 (E_RNA)
where:
Base-Base interactions energy: -128.942
where: short stacking energy: -110.398
Base-Backbone interact. energy: -0.178
local terms energy: -201.145178
where:
bonds (distance) C4'-P energy: -60.743
bonds (distance) P-C4' energy: -58.542
flat angles C4'-P-C4' energy: -64.608
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: 3.020
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: 163
Temperature: 0.900000
Total energy: -1412.379292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.379292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.379292 (E_RNA)
where:
Base-Base interactions energy: -975.834
where: short stacking energy: -407.554
Base-Backbone interact. energy: -3.371
local terms energy: -433.173610
where:
bonds (distance) C4'-P energy: -78.524
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -89.241
flat angles P-C4'-P energy: -62.343
tors. eta vs tors. theta energy: -119.690
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: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1314.576719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.576719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.576719 (E_RNA)
where:
Base-Base interactions energy: -910.555
where: short stacking energy: -386.108
Base-Backbone interact. energy: -3.403
local terms energy: -400.619057
where:
bonds (distance) C4'-P energy: -69.270
bonds (distance) P-C4' energy: -72.976
flat angles C4'-P-C4' energy: -83.923
flat angles P-C4'-P energy: -68.807
tors. eta vs tors. theta energy: -105.643
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: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1209.476784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.476784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.476784 (E_RNA)
where:
Base-Base interactions energy: -819.112
where: short stacking energy: -333.890
Base-Backbone interact. energy: -1.665
local terms energy: -388.700387
where:
bonds (distance) C4'-P energy: -77.845
bonds (distance) P-C4' energy: -71.698
flat angles C4'-P-C4' energy: -83.025
flat angles P-C4'-P energy: -54.224
tors. eta vs tors. theta energy: -101.909
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: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1130.366306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.366306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.366306 (E_RNA)
where:
Base-Base interactions energy: -753.752
where: short stacking energy: -328.283
Base-Backbone interact. energy: -1.507
local terms energy: -375.106917
where:
bonds (distance) C4'-P energy: -62.932
bonds (distance) P-C4' energy: -74.826
flat angles C4'-P-C4' energy: -86.232
flat angles P-C4'-P energy: -55.907
tors. eta vs tors. theta energy: -95.210
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: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1061.913133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.913133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.913133 (E_RNA)
where:
Base-Base interactions energy: -688.861
where: short stacking energy: -283.133
Base-Backbone interact. energy: 0.774
local terms energy: -373.825989
where:
bonds (distance) C4'-P energy: -71.638
bonds (distance) P-C4' energy: -80.643
flat angles C4'-P-C4' energy: -80.346
flat angles P-C4'-P energy: -62.124
tors. eta vs tors. theta energy: -79.075
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: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -930.712880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.712880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.712880 (E_RNA)
where:
Base-Base interactions energy: -604.670
where: short stacking energy: -272.470
Base-Backbone interact. energy: -1.051
local terms energy: -324.992291
where:
bonds (distance) C4'-P energy: -72.053
bonds (distance) P-C4' energy: -71.488
flat angles C4'-P-C4' energy: -69.335
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: -69.309
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: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -820.577111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.577111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.577111 (E_RNA)
where:
Base-Base interactions energy: -509.105
where: short stacking energy: -225.688
Base-Backbone interact. energy: -2.996
local terms energy: -308.475698
where:
bonds (distance) C4'-P energy: -58.235
bonds (distance) P-C4' energy: -80.279
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -46.887
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: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -477.299694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.299694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.299694 (E_RNA)
where:
Base-Base interactions energy: -214.186
where: short stacking energy: -132.141
Base-Backbone interact. energy: -1.155
local terms energy: -261.957931
where:
bonds (distance) C4'-P energy: -74.178
bonds (distance) P-C4' energy: -80.353
flat angles C4'-P-C4' energy: -52.924
flat angles P-C4'-P energy: -36.767
tors. eta vs tors. theta energy: -17.736
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: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -343.550679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.550679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.550679 (E_RNA)
where:
Base-Base interactions energy: -128.099
where: short stacking energy: -93.921
Base-Backbone interact. energy: -0.498
local terms energy: -214.953449
where:
bonds (distance) C4'-P energy: -67.538
bonds (distance) P-C4' energy: -63.356
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: 19.124
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: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -321.915881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.915881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.915881 (E_RNA)
where:
Base-Base interactions energy: -110.955
where: short stacking energy: -96.354
Base-Backbone interact. energy: 1.437
local terms energy: -212.398533
where:
bonds (distance) C4'-P energy: -65.335
bonds (distance) P-C4' energy: -70.600
flat angles C4'-P-C4' energy: -65.664
flat angles P-C4'-P energy: -21.793
tors. eta vs tors. theta energy: 10.993
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: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1425.730686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.730686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.730686 (E_RNA)
where:
Base-Base interactions energy: -973.644
where: short stacking energy: -395.282
Base-Backbone interact. energy: -4.331
local terms energy: -447.755948
where:
bonds (distance) C4'-P energy: -77.578
bonds (distance) P-C4' energy: -84.636
flat angles C4'-P-C4' energy: -96.185
flat angles P-C4'-P energy: -60.541
tors. eta vs tors. theta energy: -128.816
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: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1310.715694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.715694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.715694 (E_RNA)
where:
Base-Base interactions energy: -929.679
where: short stacking energy: -371.773
Base-Backbone interact. energy: 2.186
local terms energy: -383.222247
where:
bonds (distance) C4'-P energy: -68.753
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -83.550
flat angles P-C4'-P energy: -56.689
tors. eta vs tors. theta energy: -108.019
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: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1226.057063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.057063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.057063 (E_RNA)
where:
Base-Base interactions energy: -809.888
where: short stacking energy: -365.285
Base-Backbone interact. energy: -0.540
local terms energy: -415.629115
where:
bonds (distance) C4'-P energy: -75.403
bonds (distance) P-C4' energy: -74.552
flat angles C4'-P-C4' energy: -88.483
flat angles P-C4'-P energy: -58.159
tors. eta vs tors. theta energy: -119.033
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: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1097.313377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.313377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.313377 (E_RNA)
where:
Base-Base interactions energy: -733.289
where: short stacking energy: -308.686
Base-Backbone interact. energy: -3.183
local terms energy: -360.841196
where:
bonds (distance) C4'-P energy: -65.026
bonds (distance) P-C4' energy: -70.164
flat angles C4'-P-C4' energy: -77.396
flat angles P-C4'-P energy: -51.960
tors. eta vs tors. theta energy: -96.294
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: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1069.975037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.975037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.975037 (E_RNA)
where:
Base-Base interactions energy: -723.588
where: short stacking energy: -298.778
Base-Backbone interact. energy: -2.198
local terms energy: -344.189208
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -60.435
flat angles C4'-P-C4' energy: -80.552
flat angles P-C4'-P energy: -55.467
tors. eta vs tors. theta energy: -75.839
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: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -938.295716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.295716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.295716 (E_RNA)
where:
Base-Base interactions energy: -588.320
where: short stacking energy: -258.672
Base-Backbone interact. energy: 1.090
local terms energy: -351.065784
where:
bonds (distance) C4'-P energy: -79.492
bonds (distance) P-C4' energy: -67.337
flat angles C4'-P-C4' energy: -76.648
flat angles P-C4'-P energy: -53.079
tors. eta vs tors. theta energy: -74.509
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: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -782.693871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.693871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.693871 (E_RNA)
where:
Base-Base interactions energy: -498.562
where: short stacking energy: -233.340
Base-Backbone interact. energy: -0.711
local terms energy: -283.420636
where:
bonds (distance) C4'-P energy: -58.033
bonds (distance) P-C4' energy: -75.355
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -47.613
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: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -473.994557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.994557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.994557 (E_RNA)
where:
Base-Base interactions energy: -228.832
where: short stacking energy: -127.666
Base-Backbone interact. energy: -0.916
local terms energy: -244.246519
where:
bonds (distance) C4'-P energy: -59.815
bonds (distance) P-C4' energy: -75.645
flat angles C4'-P-C4' energy: -68.942
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -8.215
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: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -347.382106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.382106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.382106 (E_RNA)
where:
Base-Base interactions energy: -138.114
where: short stacking energy: -104.040
Base-Backbone interact. energy: -0.607
local terms energy: -208.661170
where:
bonds (distance) C4'-P energy: -56.972
bonds (distance) P-C4' energy: -75.451
flat angles C4'-P-C4' energy: -48.543
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: 0.745
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -304.827023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.827023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.827023 (E_RNA)
where:
Base-Base interactions energy: -119.077
where: short stacking energy: -82.264
Base-Backbone interact. energy: 0.335
local terms energy: -186.085275
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -57.402
flat angles C4'-P-C4' energy: -55.291
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: 20.873
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1410.358360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.358360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.358360 (E_RNA)
where:
Base-Base interactions energy: -981.014
where: short stacking energy: -391.502
Base-Backbone interact. energy: -3.250
local terms energy: -426.094887
where:
bonds (distance) C4'-P energy: -75.548
bonds (distance) P-C4' energy: -75.585
flat angles C4'-P-C4' energy: -84.973
flat angles P-C4'-P energy: -64.643
tors. eta vs tors. theta energy: -125.346
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: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1333.292780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.292780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.292780 (E_RNA)
where:
Base-Base interactions energy: -917.226
where: short stacking energy: -381.908
Base-Backbone interact. energy: -2.817
local terms energy: -413.249376
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -81.030
flat angles C4'-P-C4' energy: -81.626
flat angles P-C4'-P energy: -64.718
tors. eta vs tors. theta energy: -104.257
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: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1218.598333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.598333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.598333 (E_RNA)
where:
Base-Base interactions energy: -806.675
where: short stacking energy: -352.975
Base-Backbone interact. energy: -1.071
local terms energy: -410.852024
where:
bonds (distance) C4'-P energy: -76.267
bonds (distance) P-C4' energy: -83.364
flat angles C4'-P-C4' energy: -81.611
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -117.601
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: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1109.320904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.320904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.320904 (E_RNA)
where:
Base-Base interactions energy: -716.048
where: short stacking energy: -326.740
Base-Backbone interact. energy: -0.489
local terms energy: -392.784378
where:
bonds (distance) C4'-P energy: -77.499
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -88.167
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -89.856
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: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1041.752680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.752680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.752680 (E_RNA)
where:
Base-Base interactions energy: -686.630
where: short stacking energy: -296.074
Base-Backbone interact. energy: -3.215
local terms energy: -351.908011
where:
bonds (distance) C4'-P energy: -70.321
bonds (distance) P-C4' energy: -70.919
flat angles C4'-P-C4' energy: -82.278
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -89.635
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: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -931.711646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.711646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.711646 (E_RNA)
where:
Base-Base interactions energy: -592.403
where: short stacking energy: -285.047
Base-Backbone interact. energy: -1.026
local terms energy: -338.282868
where:
bonds (distance) C4'-P energy: -72.607
bonds (distance) P-C4' energy: -77.689
flat angles C4'-P-C4' energy: -74.568
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -67.969
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -788.865591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.865591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.865591 (E_RNA)
where:
Base-Base interactions energy: -499.761
where: short stacking energy: -225.453
Base-Backbone interact. energy: 0.320
local terms energy: -289.424497
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -72.478
flat angles C4'-P-C4' energy: -66.545
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -46.371
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: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -468.050122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.050122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.050122 (E_RNA)
where:
Base-Base interactions energy: -221.475
where: short stacking energy: -121.618
Base-Backbone interact. energy: 1.268
local terms energy: -247.843886
where:
bonds (distance) C4'-P energy: -73.024
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -61.231
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -1.667
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: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -323.736118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.736118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.736118 (E_RNA)
where:
Base-Base interactions energy: -125.947
where: short stacking energy: -94.495
Base-Backbone interact. energy: -1.052
local terms energy: -196.737021
where:
bonds (distance) C4'-P energy: -55.951
bonds (distance) P-C4' energy: -80.333
flat angles C4'-P-C4' energy: -50.215
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: 9.514
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -352.695070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.695070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.695070 (E_RNA)
where:
Base-Base interactions energy: -137.983
where: short stacking energy: -99.801
Base-Backbone interact. energy: -1.037
local terms energy: -213.675200
where:
bonds (distance) C4'-P energy: -72.808
bonds (distance) P-C4' energy: -64.350
flat angles C4'-P-C4' energy: -51.028
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -0.526
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: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1392.001319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.001319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.001319 (E_RNA)
where:
Base-Base interactions energy: -958.910
where: short stacking energy: -383.668
Base-Backbone interact. energy: -3.318
local terms energy: -429.773745
where:
bonds (distance) C4'-P energy: -81.876
bonds (distance) P-C4' energy: -85.993
flat angles C4'-P-C4' energy: -95.217
flat angles P-C4'-P energy: -54.079
tors. eta vs tors. theta energy: -112.609
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: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1325.981620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.981620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.981620 (E_RNA)
where:
Base-Base interactions energy: -886.193
where: short stacking energy: -376.666
Base-Backbone interact. energy: -0.351
local terms energy: -439.437717
where:
bonds (distance) C4'-P energy: -76.209
bonds (distance) P-C4' energy: -89.865
flat angles C4'-P-C4' energy: -93.698
flat angles P-C4'-P energy: -67.393
tors. eta vs tors. theta energy: -112.273
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: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1238.626390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.626390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.626390 (E_RNA)
where:
Base-Base interactions energy: -817.370
where: short stacking energy: -373.443
Base-Backbone interact. energy: -0.888
local terms energy: -420.368270
where:
bonds (distance) C4'-P energy: -74.372
bonds (distance) P-C4' energy: -79.667
flat angles C4'-P-C4' energy: -87.582
flat angles P-C4'-P energy: -55.782
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: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1124.852698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.852698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.852698 (E_RNA)
where:
Base-Base interactions energy: -748.555
where: short stacking energy: -341.042
Base-Backbone interact. energy: 0.621
local terms energy: -376.918321
where:
bonds (distance) C4'-P energy: -63.684
bonds (distance) P-C4' energy: -63.834
flat angles C4'-P-C4' energy: -83.104
flat angles P-C4'-P energy: -54.568
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1051.972290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.972290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.972290 (E_RNA)
where:
Base-Base interactions energy: -698.276
where: short stacking energy: -284.949
Base-Backbone interact. energy: -2.628
local terms energy: -351.068448
where:
bonds (distance) C4'-P energy: -72.816
bonds (distance) P-C4' energy: -77.134
flat angles C4'-P-C4' energy: -66.098
flat angles P-C4'-P energy: -49.972
tors. eta vs tors. theta energy: -85.048
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: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -908.593839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.593839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.593839 (E_RNA)
where:
Base-Base interactions energy: -603.136
where: short stacking energy: -257.773
Base-Backbone interact. energy: -0.056
local terms energy: -305.402198
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -68.556
flat angles C4'-P-C4' energy: -83.740
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -53.008
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: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -755.807128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.807128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.807128 (E_RNA)
where:
Base-Base interactions energy: -477.265
where: short stacking energy: -200.221
Base-Backbone interact. energy: 1.750
local terms energy: -280.292108
where:
bonds (distance) C4'-P energy: -59.831
bonds (distance) P-C4' energy: -79.620
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -30.695
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: 166
Temperature: 1.250000
Total energy: -476.934802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.934802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.934802 (E_RNA)
where:
Base-Base interactions energy: -243.575
where: short stacking energy: -117.373
Base-Backbone interact. energy: 1.814
local terms energy: -235.173017
where:
bonds (distance) C4'-P energy: -67.054
bonds (distance) P-C4' energy: -76.539
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -5.570
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: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -350.766769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.766769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.766769 (E_RNA)
where:
Base-Base interactions energy: -127.950
where: short stacking energy: -103.181
Base-Backbone interact. energy: -2.830
local terms energy: -219.987147
where:
bonds (distance) C4'-P energy: -63.905
bonds (distance) P-C4' energy: -62.987
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: 4.133
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: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -346.044518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.044518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.044518 (E_RNA)
where:
Base-Base interactions energy: -134.338
where: short stacking energy: -85.526
Base-Backbone interact. energy: -1.727
local terms energy: -209.979751
where:
bonds (distance) C4'-P energy: -67.062
bonds (distance) P-C4' energy: -77.442
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -29.861
tors. eta vs tors. theta energy: 17.561
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: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1421.096689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.096689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.096689 (E_RNA)
where:
Base-Base interactions energy: -965.524
where: short stacking energy: -395.953
Base-Backbone interact. energy: 0.675
local terms energy: -456.247263
where:
bonds (distance) C4'-P energy: -86.725
bonds (distance) P-C4' energy: -90.848
flat angles C4'-P-C4' energy: -95.955
flat angles P-C4'-P energy: -60.281
tors. eta vs tors. theta energy: -122.438
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: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1330.078992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.078992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.078992 (E_RNA)
where:
Base-Base interactions energy: -922.895
where: short stacking energy: -386.987
Base-Backbone interact. energy: 0.523
local terms energy: -407.706793
where:
bonds (distance) C4'-P energy: -68.320
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -89.905
flat angles P-C4'-P energy: -64.256
tors. eta vs tors. theta energy: -112.934
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: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1244.035275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.035275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.035275 (E_RNA)
where:
Base-Base interactions energy: -801.444
where: short stacking energy: -374.592
Base-Backbone interact. energy: -0.610
local terms energy: -441.980886
where:
bonds (distance) C4'-P energy: -83.091
bonds (distance) P-C4' energy: -79.568
flat angles C4'-P-C4' energy: -93.368
flat angles P-C4'-P energy: -59.819
tors. eta vs tors. theta energy: -126.135
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: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1106.434206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.434206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.434206 (E_RNA)
where:
Base-Base interactions energy: -727.190
where: short stacking energy: -322.767
Base-Backbone interact. energy: -1.074
local terms energy: -378.170669
where:
bonds (distance) C4'-P energy: -68.716
bonds (distance) P-C4' energy: -69.701
flat angles C4'-P-C4' energy: -76.736
flat angles P-C4'-P energy: -57.820
tors. eta vs tors. theta energy: -105.198
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: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1023.610008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.610008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.610008 (E_RNA)
where:
Base-Base interactions energy: -666.491
where: short stacking energy: -272.663
Base-Backbone interact. energy: -2.356
local terms energy: -354.763142
where:
bonds (distance) C4'-P energy: -73.921
bonds (distance) P-C4' energy: -70.632
flat angles C4'-P-C4' energy: -79.607
flat angles P-C4'-P energy: -53.274
tors. eta vs tors. theta energy: -77.328
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -912.203272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.203272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.203272 (E_RNA)
where:
Base-Base interactions energy: -584.073
where: short stacking energy: -261.445
Base-Backbone interact. energy: 0.187
local terms energy: -328.317477
where:
bonds (distance) C4'-P energy: -83.834
bonds (distance) P-C4' energy: -77.838
flat angles C4'-P-C4' energy: -51.962
flat angles P-C4'-P energy: -43.305
tors. eta vs tors. theta energy: -71.378
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: 167
Temperature: 1.200000
Total energy: -721.227070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.227070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.227070 (E_RNA)
where:
Base-Base interactions energy: -452.391
where: short stacking energy: -226.490
Base-Backbone interact. energy: -0.845
local terms energy: -267.991445
where:
bonds (distance) C4'-P energy: -63.304
bonds (distance) P-C4' energy: -50.577
flat angles C4'-P-C4' energy: -62.711
flat angles P-C4'-P energy: -38.333
tors. eta vs tors. theta energy: -53.067
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: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -373.292495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.292495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.292495 (E_RNA)
where:
Base-Base interactions energy: -142.285
where: short stacking energy: -96.803
Base-Backbone interact. energy: 0.943
local terms energy: -231.950542
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -72.349
flat angles C4'-P-C4' energy: -66.428
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: 0.806
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -433.275169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.275169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.275169 (E_RNA)
where:
Base-Base interactions energy: -215.795
where: short stacking energy: -111.495
Base-Backbone interact. energy: -0.914
local terms energy: -216.567048
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -58.726
flat angles C4'-P-C4' energy: -45.790
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -3.941
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: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -317.444605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.444605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.444605 (E_RNA)
where:
Base-Base interactions energy: -120.985
where: short stacking energy: -77.177
Base-Backbone interact. energy: 0.471
local terms energy: -196.930747
where:
bonds (distance) C4'-P energy: -64.108
bonds (distance) P-C4' energy: -59.516
flat angles C4'-P-C4' energy: -47.504
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: 10.356
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: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1391.273217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.273217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.273217 (E_RNA)
where:
Base-Base interactions energy: -975.838
where: short stacking energy: -379.033
Base-Backbone interact. energy: -2.775
local terms energy: -412.659788
where:
bonds (distance) C4'-P energy: -75.795
bonds (distance) P-C4' energy: -77.057
flat angles C4'-P-C4' energy: -85.866
flat angles P-C4'-P energy: -56.266
tors. eta vs tors. theta energy: -117.676
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: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1342.959301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.959301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.959301 (E_RNA)
where:
Base-Base interactions energy: -914.330
where: short stacking energy: -399.674
Base-Backbone interact. energy: -2.818
local terms energy: -425.810781
where:
bonds (distance) C4'-P energy: -84.369
bonds (distance) P-C4' energy: -77.508
flat angles C4'-P-C4' energy: -89.192
flat angles P-C4'-P energy: -62.242
tors. eta vs tors. theta energy: -112.499
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: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1267.846816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.846816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.846816 (E_RNA)
where:
Base-Base interactions energy: -849.457
where: short stacking energy: -391.330
Base-Backbone interact. energy: -0.832
local terms energy: -417.558026
where:
bonds (distance) C4'-P energy: -71.646
bonds (distance) P-C4' energy: -74.537
flat angles C4'-P-C4' energy: -90.426
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -122.861
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: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1073.251865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.251865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.251865 (E_RNA)
where:
Base-Base interactions energy: -704.412
where: short stacking energy: -298.243
Base-Backbone interact. energy: -2.447
local terms energy: -366.393417
where:
bonds (distance) C4'-P energy: -68.671
bonds (distance) P-C4' energy: -70.728
flat angles C4'-P-C4' energy: -75.255
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -89.573
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: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1049.419174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.419174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.419174 (E_RNA)
where:
Base-Base interactions energy: -708.353
where: short stacking energy: -301.432
Base-Backbone interact. energy: -0.902
local terms energy: -340.163786
where:
bonds (distance) C4'-P energy: -48.992
bonds (distance) P-C4' energy: -80.184
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -93.256
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: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -899.384653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.384653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.384653 (E_RNA)
where:
Base-Base interactions energy: -582.743
where: short stacking energy: -254.377
Base-Backbone interact. energy: -2.226
local terms energy: -314.415335
where:
bonds (distance) C4'-P energy: -58.572
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -84.136
flat angles P-C4'-P energy: -47.698
tors. eta vs tors. theta energy: -61.288
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: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -661.770509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.770509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.770509 (E_RNA)
where:
Base-Base interactions energy: -369.284
where: short stacking energy: -174.358
Base-Backbone interact. energy: -1.390
local terms energy: -291.096917
where:
bonds (distance) C4'-P energy: -65.311
bonds (distance) P-C4' energy: -80.723
flat angles C4'-P-C4' energy: -60.691
flat angles P-C4'-P energy: -53.654
tors. eta vs tors. theta energy: -30.717
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: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -383.781872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.781872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.781872 (E_RNA)
where:
Base-Base interactions energy: -158.592
where: short stacking energy: -139.889
Base-Backbone interact. energy: -3.463
local terms energy: -221.727080
where:
bonds (distance) C4'-P energy: -46.551
bonds (distance) P-C4' energy: -79.375
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -9.414
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: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -342.533046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.533046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.533046 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -77.909
Base-Backbone interact. energy: -1.172
local terms energy: -224.297037
where:
bonds (distance) C4'-P energy: -73.043
bonds (distance) P-C4' energy: -81.773
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -39.353
tors. eta vs tors. theta energy: 25.689
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: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -397.939888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.939888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.939888 (E_RNA)
where:
Base-Base interactions energy: -187.257
where: short stacking energy: -100.079
Base-Backbone interact. energy: -0.461
local terms energy: -210.221772
where:
bonds (distance) C4'-P energy: -56.890
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -63.885
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: 7.332
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: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1416.765488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.765488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.765488 (E_RNA)
where:
Base-Base interactions energy: -979.623
where: short stacking energy: -378.870
Base-Backbone interact. energy: -0.805
local terms energy: -436.337013
where:
bonds (distance) C4'-P energy: -85.500
bonds (distance) P-C4' energy: -82.205
flat angles C4'-P-C4' energy: -89.019
flat angles P-C4'-P energy: -60.733
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: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1333.247575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.247575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.247575 (E_RNA)
where:
Base-Base interactions energy: -941.632
where: short stacking energy: -383.922
Base-Backbone interact. energy: -1.634
local terms energy: -389.981926
where:
bonds (distance) C4'-P energy: -75.017
bonds (distance) P-C4' energy: -71.105
flat angles C4'-P-C4' energy: -78.474
flat angles P-C4'-P energy: -60.972
tors. eta vs tors. theta energy: -104.414
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: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1249.365398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.365398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.365398 (E_RNA)
where:
Base-Base interactions energy: -843.101
where: short stacking energy: -384.864
Base-Backbone interact. energy: -1.293
local terms energy: -404.971654
where:
bonds (distance) C4'-P energy: -67.669
bonds (distance) P-C4' energy: -83.033
flat angles C4'-P-C4' energy: -81.666
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -122.264
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: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1121.643562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.643562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.643562 (E_RNA)
where:
Base-Base interactions energy: -740.297
where: short stacking energy: -334.979
Base-Backbone interact. energy: 1.762
local terms energy: -383.108441
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -72.665
flat angles C4'-P-C4' energy: -81.684
flat angles P-C4'-P energy: -62.960
tors. eta vs tors. theta energy: -102.404
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: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1070.052902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.052902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.052902 (E_RNA)
where:
Base-Base interactions energy: -725.007
where: short stacking energy: -279.391
Base-Backbone interact. energy: -1.586
local terms energy: -343.459029
where:
bonds (distance) C4'-P energy: -69.662
bonds (distance) P-C4' energy: -77.371
flat angles C4'-P-C4' energy: -77.271
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -78.539
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: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -876.050832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.050832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.050832 (E_RNA)
where:
Base-Base interactions energy: -552.392
where: short stacking energy: -242.209
Base-Backbone interact. energy: -3.123
local terms energy: -320.536460
where:
bonds (distance) C4'-P energy: -68.213
bonds (distance) P-C4' energy: -87.124
flat angles C4'-P-C4' energy: -64.274
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -58.518
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: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -702.064736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.064736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.064736 (E_RNA)
where:
Base-Base interactions energy: -410.995
where: short stacking energy: -193.300
Base-Backbone interact. energy: -2.414
local terms energy: -288.655144
where:
bonds (distance) C4'-P energy: -62.062
bonds (distance) P-C4' energy: -77.038
flat angles C4'-P-C4' energy: -69.561
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -40.021
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: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -372.193499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.193499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.193499 (E_RNA)
where:
Base-Base interactions energy: -149.039
where: short stacking energy: -115.734
Base-Backbone interact. energy: 0.190
local terms energy: -223.344435
where:
bonds (distance) C4'-P energy: -73.659
bonds (distance) P-C4' energy: -67.130
flat angles C4'-P-C4' energy: -50.582
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: 10.154
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: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -348.122237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.122237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.122237 (E_RNA)
where:
Base-Base interactions energy: -128.591
where: short stacking energy: -93.761
Base-Backbone interact. energy: 0.913
local terms energy: -220.444343
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -79.473
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: 12.623
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: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -376.585406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.585406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.585406 (E_RNA)
where:
Base-Base interactions energy: -176.045
where: short stacking energy: -101.045
Base-Backbone interact. energy: -2.666
local terms energy: -197.874965
where:
bonds (distance) C4'-P energy: -61.796
bonds (distance) P-C4' energy: -65.360
flat angles C4'-P-C4' energy: -52.552
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: 15.153
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: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1401.442005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.442005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.442005 (E_RNA)
where:
Base-Base interactions energy: -978.887
where: short stacking energy: -398.150
Base-Backbone interact. energy: 0.075
local terms energy: -422.630485
where:
bonds (distance) C4'-P energy: -84.609
bonds (distance) P-C4' energy: -79.376
flat angles C4'-P-C4' energy: -85.625
flat angles P-C4'-P energy: -51.208
tors. eta vs tors. theta energy: -121.813
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1340.857339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.857339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.857339 (E_RNA)
where:
Base-Base interactions energy: -914.303
where: short stacking energy: -382.278
Base-Backbone interact. energy: -1.774
local terms energy: -424.781061
where:
bonds (distance) C4'-P energy: -74.075
bonds (distance) P-C4' energy: -82.238
flat angles C4'-P-C4' energy: -93.018
flat angles P-C4'-P energy: -62.858
tors. eta vs tors. theta energy: -112.591
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: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1248.878173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.878173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.878173 (E_RNA)
where:
Base-Base interactions energy: -811.023
where: short stacking energy: -379.559
Base-Backbone interact. energy: -0.498
local terms energy: -437.357010
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -77.575
flat angles C4'-P-C4' energy: -91.518
flat angles P-C4'-P energy: -58.182
tors. eta vs tors. theta energy: -124.561
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: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1121.245329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.245329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.245329 (E_RNA)
where:
Base-Base interactions energy: -731.053
where: short stacking energy: -330.909
Base-Backbone interact. energy: -0.230
local terms energy: -389.961959
where:
bonds (distance) C4'-P energy: -76.750
bonds (distance) P-C4' energy: -85.603
flat angles C4'-P-C4' energy: -78.728
flat angles P-C4'-P energy: -50.650
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: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1090.388252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.388252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.388252 (E_RNA)
where:
Base-Base interactions energy: -725.627
where: short stacking energy: -308.014
Base-Backbone interact. energy: 0.746
local terms energy: -365.507370
where:
bonds (distance) C4'-P energy: -68.045
bonds (distance) P-C4' energy: -71.884
flat angles C4'-P-C4' energy: -91.133
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -86.574
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: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -889.130821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.130821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.130821 (E_RNA)
where:
Base-Base interactions energy: -560.245
where: short stacking energy: -257.885
Base-Backbone interact. energy: -2.789
local terms energy: -326.096851
where:
bonds (distance) C4'-P energy: -56.151
bonds (distance) P-C4' energy: -78.858
flat angles C4'-P-C4' energy: -77.544
flat angles P-C4'-P energy: -44.774
tors. eta vs tors. theta energy: -68.770
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: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -726.445218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.445218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.445218 (E_RNA)
where:
Base-Base interactions energy: -447.211
where: short stacking energy: -236.358
Base-Backbone interact. energy: 2.110
local terms energy: -281.344331
where:
bonds (distance) C4'-P energy: -59.644
bonds (distance) P-C4' energy: -59.391
flat angles C4'-P-C4' energy: -63.631
flat angles P-C4'-P energy: -51.217
tors. eta vs tors. theta energy: -47.461
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: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -358.544187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.544187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.544187 (E_RNA)
where:
Base-Base interactions energy: -116.223
where: short stacking energy: -104.836
Base-Backbone interact. energy: -0.558
local terms energy: -241.763125
where:
bonds (distance) C4'-P energy: -68.083
bonds (distance) P-C4' energy: -66.319
flat angles C4'-P-C4' energy: -73.424
flat angles P-C4'-P energy: -45.089
tors. eta vs tors. theta energy: 11.152
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: 170
Temperature: 1.300000
Total energy: -422.793379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.793379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.793379 (E_RNA)
where:
Base-Base interactions energy: -203.611
where: short stacking energy: -130.887
Base-Backbone interact. energy: -1.033
local terms energy: -218.150270
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -66.938
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: 2.463
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: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -292.751401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.751401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.751401 (E_RNA)
where:
Base-Base interactions energy: -80.930
where: short stacking energy: -50.126
Base-Backbone interact. energy: -1.481
local terms energy: -210.339899
where:
bonds (distance) C4'-P energy: -77.295
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -53.992
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: 18.247
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1426.481250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.481250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.481250 (E_RNA)
where:
Base-Base interactions energy: -979.718
where: short stacking energy: -394.138
Base-Backbone interact. energy: -1.223
local terms energy: -445.539685
where:
bonds (distance) C4'-P energy: -79.344
bonds (distance) P-C4' energy: -86.085
flat angles C4'-P-C4' energy: -94.873
flat angles P-C4'-P energy: -57.299
tors. eta vs tors. theta energy: -127.938
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: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1340.129561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.129561 (E_RNA)
where:
Base-Base interactions energy: -913.667
where: short stacking energy: -380.945
Base-Backbone interact. energy: -1.343
local terms energy: -425.120303
where:
bonds (distance) C4'-P energy: -71.537
bonds (distance) P-C4' energy: -85.712
flat angles C4'-P-C4' energy: -80.216
flat angles P-C4'-P energy: -71.314
tors. eta vs tors. theta energy: -116.341
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: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1236.350191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.350191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.350191 (E_RNA)
where:
Base-Base interactions energy: -819.681
where: short stacking energy: -364.514
Base-Backbone interact. energy: -2.158
local terms energy: -414.510798
where:
bonds (distance) C4'-P energy: -79.504
bonds (distance) P-C4' energy: -83.807
flat angles C4'-P-C4' energy: -76.891
flat angles P-C4'-P energy: -61.912
tors. eta vs tors. theta energy: -112.396
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: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1111.373682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.373682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.373682 (E_RNA)
where:
Base-Base interactions energy: -739.593
where: short stacking energy: -312.131
Base-Backbone interact. energy: -0.143
local terms energy: -371.637577
where:
bonds (distance) C4'-P energy: -60.769
bonds (distance) P-C4' energy: -78.124
flat angles C4'-P-C4' energy: -85.191
flat angles P-C4'-P energy: -54.747
tors. eta vs tors. theta energy: -92.807
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: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1097.502320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.502320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.502320 (E_RNA)
where:
Base-Base interactions energy: -737.846
where: short stacking energy: -309.133
Base-Backbone interact. energy: -1.717
local terms energy: -357.938682
where:
bonds (distance) C4'-P energy: -83.710
bonds (distance) P-C4' energy: -66.577
flat angles C4'-P-C4' energy: -80.046
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -84.078
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: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -853.434481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.434481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.434481 (E_RNA)
where:
Base-Base interactions energy: -531.281
where: short stacking energy: -226.111
Base-Backbone interact. energy: -1.289
local terms energy: -320.864511
where:
bonds (distance) C4'-P energy: -73.239
bonds (distance) P-C4' energy: -75.526
flat angles C4'-P-C4' energy: -82.030
flat angles P-C4'-P energy: -40.356
tors. eta vs tors. theta energy: -49.714
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: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -746.109535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.109535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.109535 (E_RNA)
where:
Base-Base interactions energy: -424.730
where: short stacking energy: -197.226
Base-Backbone interact. energy: -1.042
local terms energy: -320.337627
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -79.854
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -49.163
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: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -433.244278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.244278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.244278 (E_RNA)
where:
Base-Base interactions energy: -190.189
where: short stacking energy: -124.615
Base-Backbone interact. energy: -1.165
local terms energy: -241.890013
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -72.891
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -7.593
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: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -334.888853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.888853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.888853 (E_RNA)
where:
Base-Base interactions energy: -96.823
where: short stacking energy: -80.661
Base-Backbone interact. energy: -0.556
local terms energy: -237.510251
where:
bonds (distance) C4'-P energy: -68.509
bonds (distance) P-C4' energy: -73.744
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -5.664
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: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -314.178449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.178449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.178449 (E_RNA)
where:
Base-Base interactions energy: -100.752
where: short stacking energy: -91.221
Base-Backbone interact. energy: 1.324
local terms energy: -214.750631
where:
bonds (distance) C4'-P energy: -80.715
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -61.511
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: 7.003
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: 172
Temperature: 0.900000
Total energy: -1411.312745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.312745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.312745 (E_RNA)
where:
Base-Base interactions energy: -972.205
where: short stacking energy: -388.551
Base-Backbone interact. energy: 2.158
local terms energy: -441.265519
where:
bonds (distance) C4'-P energy: -82.555
bonds (distance) P-C4' energy: -78.628
flat angles C4'-P-C4' energy: -90.742
flat angles P-C4'-P energy: -62.587
tors. eta vs tors. theta energy: -126.753
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: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1344.687581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.687581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.687581 (E_RNA)
where:
Base-Base interactions energy: -920.536
where: short stacking energy: -376.667
Base-Backbone interact. energy: -2.860
local terms energy: -421.291767
where:
bonds (distance) C4'-P energy: -83.811
bonds (distance) P-C4' energy: -76.419
flat angles C4'-P-C4' energy: -90.423
flat angles P-C4'-P energy: -61.045
tors. eta vs tors. theta energy: -109.594
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: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1228.844320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.844320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.844320 (E_RNA)
where:
Base-Base interactions energy: -808.524
where: short stacking energy: -378.406
Base-Backbone interact. energy: -0.523
local terms energy: -419.797662
where:
bonds (distance) C4'-P energy: -79.856
bonds (distance) P-C4' energy: -79.866
flat angles C4'-P-C4' energy: -84.629
flat angles P-C4'-P energy: -59.016
tors. eta vs tors. theta energy: -116.431
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1104.339994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.339994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.339994 (E_RNA)
where:
Base-Base interactions energy: -728.853
where: short stacking energy: -318.920
Base-Backbone interact. energy: -0.201
local terms energy: -375.285443
where:
bonds (distance) C4'-P energy: -81.946
bonds (distance) P-C4' energy: -70.866
flat angles C4'-P-C4' energy: -82.256
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -88.204
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: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1057.507122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.507122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.507122 (E_RNA)
where:
Base-Base interactions energy: -686.583
where: short stacking energy: -273.867
Base-Backbone interact. energy: 0.431
local terms energy: -371.355721
where:
bonds (distance) C4'-P energy: -72.654
bonds (distance) P-C4' energy: -81.471
flat angles C4'-P-C4' energy: -78.482
flat angles P-C4'-P energy: -57.929
tors. eta vs tors. theta energy: -80.820
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: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -885.853551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.853551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.853551 (E_RNA)
where:
Base-Base interactions energy: -551.241
where: short stacking energy: -273.907
Base-Backbone interact. energy: -1.855
local terms energy: -332.757269
where:
bonds (distance) C4'-P energy: -60.034
bonds (distance) P-C4' energy: -74.424
flat angles C4'-P-C4' energy: -86.668
flat angles P-C4'-P energy: -45.719
tors. eta vs tors. theta energy: -65.912
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: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -741.095294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.095294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.095294 (E_RNA)
where:
Base-Base interactions energy: -445.799
where: short stacking energy: -205.809
Base-Backbone interact. energy: 5.673
local terms energy: -300.969530
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -78.370
flat angles C4'-P-C4' energy: -73.813
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -44.319
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: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -463.054522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.054522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.054522 (E_RNA)
where:
Base-Base interactions energy: -232.224
where: short stacking energy: -134.155
Base-Backbone interact. energy: 3.642
local terms energy: -234.472768
where:
bonds (distance) C4'-P energy: -63.421
bonds (distance) P-C4' energy: -61.536
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -3.644
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: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -337.335551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.335551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.335551 (E_RNA)
where:
Base-Base interactions energy: -122.100
where: short stacking energy: -96.940
Base-Backbone interact. energy: -2.879
local terms energy: -212.356124
where:
bonds (distance) C4'-P energy: -72.298
bonds (distance) P-C4' energy: -71.681
flat angles C4'-P-C4' energy: -48.932
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: 10.195
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -315.626906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.626906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.626906 (E_RNA)
where:
Base-Base interactions energy: -91.468
where: short stacking energy: -89.079
Base-Backbone interact. energy: 1.690
local terms energy: -225.848831
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -55.631
flat angles C4'-P-C4' energy: -70.101
flat angles P-C4'-P energy: -49.136
tors. eta vs tors. theta energy: 11.532
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: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1421.339690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.339690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.339690 (E_RNA)
where:
Base-Base interactions energy: -975.691
where: short stacking energy: -407.681
Base-Backbone interact. energy: -1.771
local terms energy: -443.877625
where:
bonds (distance) C4'-P energy: -77.716
bonds (distance) P-C4' energy: -83.697
flat angles C4'-P-C4' energy: -99.037
flat angles P-C4'-P energy: -62.345
tors. eta vs tors. theta energy: -121.083
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: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1353.281364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.281364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.281364 (E_RNA)
where:
Base-Base interactions energy: -907.590
where: short stacking energy: -386.292
Base-Backbone interact. energy: -3.081
local terms energy: -442.609944
where:
bonds (distance) C4'-P energy: -74.881
bonds (distance) P-C4' energy: -83.492
flat angles C4'-P-C4' energy: -96.833
flat angles P-C4'-P energy: -67.734
tors. eta vs tors. theta energy: -119.670
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: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1234.302918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.302918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.302918 (E_RNA)
where:
Base-Base interactions energy: -808.000
where: short stacking energy: -372.964
Base-Backbone interact. energy: -2.191
local terms energy: -424.111130
where:
bonds (distance) C4'-P energy: -83.928
bonds (distance) P-C4' energy: -81.989
flat angles C4'-P-C4' energy: -89.576
flat angles P-C4'-P energy: -53.157
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: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1102.978556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.978556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.978556 (E_RNA)
where:
Base-Base interactions energy: -703.605
where: short stacking energy: -317.274
Base-Backbone interact. energy: -1.400
local terms energy: -397.973966
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -89.076
flat angles C4'-P-C4' energy: -83.134
flat angles P-C4'-P energy: -52.532
tors. eta vs tors. theta energy: -89.763
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: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1072.254659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.254659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.254659 (E_RNA)
where:
Base-Base interactions energy: -717.086
where: short stacking energy: -311.608
Base-Backbone interact. energy: -1.437
local terms energy: -353.731321
where:
bonds (distance) C4'-P energy: -71.720
bonds (distance) P-C4' energy: -75.937
flat angles C4'-P-C4' energy: -78.669
flat angles P-C4'-P energy: -46.540
tors. eta vs tors. theta energy: -80.866
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -926.296462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.296462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.296462 (E_RNA)
where:
Base-Base interactions energy: -585.859
where: short stacking energy: -264.791
Base-Backbone interact. energy: -1.560
local terms energy: -338.878083
where:
bonds (distance) C4'-P energy: -75.941
bonds (distance) P-C4' energy: -73.096
flat angles C4'-P-C4' energy: -76.399
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -67.539
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: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -749.728929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.728929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.728929 (E_RNA)
where:
Base-Base interactions energy: -477.890
where: short stacking energy: -220.876
Base-Backbone interact. energy: -4.254
local terms energy: -267.585046
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -72.414
flat angles C4'-P-C4' energy: -64.499
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -41.385
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: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -450.498397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.498397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.498397 (E_RNA)
where:
Base-Base interactions energy: -221.059
where: short stacking energy: -138.827
Base-Backbone interact. energy: 1.102
local terms energy: -230.541330
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -73.457
flat angles C4'-P-C4' energy: -60.121
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -11.916
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: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -351.509289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.509289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.509289 (E_RNA)
where:
Base-Base interactions energy: -141.483
where: short stacking energy: -98.601
Base-Backbone interact. energy: -1.964
local terms energy: -208.062865
where:
bonds (distance) C4'-P energy: -66.536
bonds (distance) P-C4' energy: -53.368
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -43.989
tors. eta vs tors. theta energy: 10.200
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: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -307.624947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.624947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.624947 (E_RNA)
where:
Base-Base interactions energy: -99.470
where: short stacking energy: -92.042
Base-Backbone interact. energy: -0.183
local terms energy: -207.972573
where:
bonds (distance) C4'-P energy: -60.501
bonds (distance) P-C4' energy: -76.886
flat angles C4'-P-C4' energy: -55.780
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: 16.238
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: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1413.628912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.628912 (E_RNA)
where:
Base-Base interactions energy: -1007.472
where: short stacking energy: -393.986
Base-Backbone interact. energy: -1.232
local terms energy: -404.925502
where:
bonds (distance) C4'-P energy: -73.944
bonds (distance) P-C4' energy: -78.990
flat angles C4'-P-C4' energy: -72.254
flat angles P-C4'-P energy: -54.475
tors. eta vs tors. theta energy: -125.262
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: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1334.957069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.957069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.957069 (E_RNA)
where:
Base-Base interactions energy: -936.849
where: short stacking energy: -406.348
Base-Backbone interact. energy: 2.181
local terms energy: -400.288751
where:
bonds (distance) C4'-P energy: -62.971
bonds (distance) P-C4' energy: -79.826
flat angles C4'-P-C4' energy: -85.888
flat angles P-C4'-P energy: -54.552
tors. eta vs tors. theta energy: -117.052
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: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1221.423024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.423024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.423024 (E_RNA)
where:
Base-Base interactions energy: -813.837
where: short stacking energy: -375.561
Base-Backbone interact. energy: -1.211
local terms energy: -406.374667
where:
bonds (distance) C4'-P energy: -72.288
bonds (distance) P-C4' energy: -83.581
flat angles C4'-P-C4' energy: -84.548
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -109.397
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: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1124.028574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.028574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.028574 (E_RNA)
where:
Base-Base interactions energy: -740.249
where: short stacking energy: -321.892
Base-Backbone interact. energy: 0.215
local terms energy: -383.994514
where:
bonds (distance) C4'-P energy: -85.844
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -71.472
flat angles P-C4'-P energy: -54.886
tors. eta vs tors. theta energy: -105.174
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: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1049.680341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.680341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.680341 (E_RNA)
where:
Base-Base interactions energy: -708.858
where: short stacking energy: -284.418
Base-Backbone interact. energy: -0.470
local terms energy: -340.352364
where:
bonds (distance) C4'-P energy: -64.486
bonds (distance) P-C4' energy: -72.118
flat angles C4'-P-C4' energy: -74.316
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -82.183
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: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -883.964621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.964621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.964621 (E_RNA)
where:
Base-Base interactions energy: -562.153
where: short stacking energy: -246.757
Base-Backbone interact. energy: -2.565
local terms energy: -319.246764
where:
bonds (distance) C4'-P energy: -76.525
bonds (distance) P-C4' energy: -72.466
flat angles C4'-P-C4' energy: -67.655
flat angles P-C4'-P energy: -48.443
tors. eta vs tors. theta energy: -54.157
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: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -785.785697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.785697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.785697 (E_RNA)
where:
Base-Base interactions energy: -484.646
where: short stacking energy: -220.984
Base-Backbone interact. energy: -3.931
local terms energy: -297.208337
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -63.902
flat angles C4'-P-C4' energy: -79.583
flat angles P-C4'-P energy: -57.343
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: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -442.967478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.967478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.967478 (E_RNA)
where:
Base-Base interactions energy: -182.982
where: short stacking energy: -126.432
Base-Backbone interact. energy: 5.230
local terms energy: -265.215666
where:
bonds (distance) C4'-P energy: -79.998
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -66.507
flat angles P-C4'-P energy: -45.615
tors. eta vs tors. theta energy: -16.535
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: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -333.445358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.445358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.445358 (E_RNA)
where:
Base-Base interactions energy: -109.059
where: short stacking energy: -90.888
Base-Backbone interact. energy: -1.746
local terms energy: -222.640724
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -59.414
flat angles C4'-P-C4' energy: -65.770
flat angles P-C4'-P energy: -47.560
tors. eta vs tors. theta energy: 3.819
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: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -310.398783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.398783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.398783 (E_RNA)
where:
Base-Base interactions energy: -88.726
where: short stacking energy: -75.516
Base-Backbone interact. energy: -2.515
local terms energy: -219.157783
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -68.357
flat angles C4'-P-C4' energy: -62.427
flat angles P-C4'-P energy: -47.129
tors. eta vs tors. theta energy: 21.200
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: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1400.213056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.213056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.213056 (E_RNA)
where:
Base-Base interactions energy: -971.104
where: short stacking energy: -382.467
Base-Backbone interact. energy: -3.753
local terms energy: -425.355814
where:
bonds (distance) C4'-P energy: -73.574
bonds (distance) P-C4' energy: -87.170
flat angles C4'-P-C4' energy: -90.984
flat angles P-C4'-P energy: -54.628
tors. eta vs tors. theta energy: -118.999
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: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1319.652609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.652609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.652609 (E_RNA)
where:
Base-Base interactions energy: -910.837
where: short stacking energy: -380.276
Base-Backbone interact. energy: -3.309
local terms energy: -405.506875
where:
bonds (distance) C4'-P energy: -72.497
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -94.557
flat angles P-C4'-P energy: -59.497
tors. eta vs tors. theta energy: -108.459
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: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1212.120603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.120603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.120603 (E_RNA)
where:
Base-Base interactions energy: -814.436
where: short stacking energy: -370.095
Base-Backbone interact. energy: -0.411
local terms energy: -397.273115
where:
bonds (distance) C4'-P energy: -66.667
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -83.031
flat angles P-C4'-P energy: -57.850
tors. eta vs tors. theta energy: -113.044
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: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1207.198803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.198803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.198803 (E_RNA)
where:
Base-Base interactions energy: -806.471
where: short stacking energy: -362.683
Base-Backbone interact. energy: 0.431
local terms energy: -401.158135
where:
bonds (distance) C4'-P energy: -73.323
bonds (distance) P-C4' energy: -73.504
flat angles C4'-P-C4' energy: -82.825
flat angles P-C4'-P energy: -57.657
tors. eta vs tors. theta energy: -113.848
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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -999.580782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.580782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.580782 (E_RNA)
where:
Base-Base interactions energy: -645.747
where: short stacking energy: -272.030
Base-Backbone interact. energy: 5.811
local terms energy: -359.644831
where:
bonds (distance) C4'-P energy: -79.124
bonds (distance) P-C4' energy: -69.703
flat angles C4'-P-C4' energy: -78.370
flat angles P-C4'-P energy: -53.893
tors. eta vs tors. theta energy: -78.554
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: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -853.099494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.099494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.099494 (E_RNA)
where:
Base-Base interactions energy: -526.830
where: short stacking energy: -232.570
Base-Backbone interact. energy: -2.171
local terms energy: -324.097672
where:
bonds (distance) C4'-P energy: -73.531
bonds (distance) P-C4' energy: -77.919
flat angles C4'-P-C4' energy: -76.305
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -58.771
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: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -819.321102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.321102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.321102 (E_RNA)
where:
Base-Base interactions energy: -515.187
where: short stacking energy: -231.143
Base-Backbone interact. energy: -1.072
local terms energy: -303.061493
where:
bonds (distance) C4'-P energy: -59.343
bonds (distance) P-C4' energy: -69.523
flat angles C4'-P-C4' energy: -76.594
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -53.463
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: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -443.452050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.452050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.452050 (E_RNA)
where:
Base-Base interactions energy: -197.536
where: short stacking energy: -117.560
Base-Backbone interact. energy: 1.361
local terms energy: -247.276874
where:
bonds (distance) C4'-P energy: -75.077
bonds (distance) P-C4' energy: -69.054
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: 2.542
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: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -343.382159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.382159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.382159 (E_RNA)
where:
Base-Base interactions energy: -107.340
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.714
local terms energy: -235.328035
where:
bonds (distance) C4'-P energy: -68.949
bonds (distance) P-C4' energy: -69.854
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: -0.132
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: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -329.908951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.908951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.908951 (E_RNA)
where:
Base-Base interactions energy: -118.977
where: short stacking energy: -96.600
Base-Backbone interact. energy: -1.297
local terms energy: -209.634367
where:
bonds (distance) C4'-P energy: -61.658
bonds (distance) P-C4' energy: -70.903
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -28.762
tors. eta vs tors. theta energy: 9.840
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: 176
Temperature: 0.900000
Total energy: -1409.876734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.876734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.876734 (E_RNA)
where:
Base-Base interactions energy: -954.714
where: short stacking energy: -384.021
Base-Backbone interact. energy: 2.279
local terms energy: -457.441109
where:
bonds (distance) C4'-P energy: -75.625
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -99.495
flat angles P-C4'-P energy: -71.765
tors. eta vs tors. theta energy: -124.558
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: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1334.113558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.113558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.113558 (E_RNA)
where:
Base-Base interactions energy: -911.670
where: short stacking energy: -383.059
Base-Backbone interact. energy: -0.972
local terms energy: -421.471907
where:
bonds (distance) C4'-P energy: -77.184
bonds (distance) P-C4' energy: -72.385
flat angles C4'-P-C4' energy: -96.550
flat angles P-C4'-P energy: -68.471
tors. eta vs tors. theta energy: -106.882
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: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1246.357872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.357872 (E_RNA)
where:
Base-Base interactions energy: -850.353
where: short stacking energy: -375.485
Base-Backbone interact. energy: -0.762
local terms energy: -395.242934
where:
bonds (distance) C4'-P energy: -76.056
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -79.092
flat angles P-C4'-P energy: -56.617
tors. eta vs tors. theta energy: -116.503
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: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1164.474651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.474651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.474651 (E_RNA)
where:
Base-Base interactions energy: -797.014
where: short stacking energy: -322.027
Base-Backbone interact. energy: -0.738
local terms energy: -366.722637
where:
bonds (distance) C4'-P energy: -73.021
bonds (distance) P-C4' energy: -71.960
flat angles C4'-P-C4' energy: -70.881
flat angles P-C4'-P energy: -52.633
tors. eta vs tors. theta energy: -98.228
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: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -980.388629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.388629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.388629 (E_RNA)
where:
Base-Base interactions energy: -644.144
where: short stacking energy: -266.076
Base-Backbone interact. energy: 1.511
local terms energy: -337.755951
where:
bonds (distance) C4'-P energy: -66.996
bonds (distance) P-C4' energy: -75.967
flat angles C4'-P-C4' energy: -77.589
flat angles P-C4'-P energy: -46.951
tors. eta vs tors. theta energy: -70.253
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -852.689729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.689729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.689729 (E_RNA)
where:
Base-Base interactions energy: -519.181
where: short stacking energy: -257.117
Base-Backbone interact. energy: -3.088
local terms energy: -330.421346
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -65.298
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -789.987954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.987954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.987954 (E_RNA)
where:
Base-Base interactions energy: -481.972
where: short stacking energy: -219.539
Base-Backbone interact. energy: -2.515
local terms energy: -305.500381
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -72.174
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -57.304
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: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -428.044656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.044656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.044656 (E_RNA)
where:
Base-Base interactions energy: -200.429
where: short stacking energy: -113.224
Base-Backbone interact. energy: 0.822
local terms energy: -228.437332
where:
bonds (distance) C4'-P energy: -70.647
bonds (distance) P-C4' energy: -72.439
flat angles C4'-P-C4' energy: -50.522
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -2.905
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -336.729470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.729470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.729470 (E_RNA)
where:
Base-Base interactions energy: -112.571
where: short stacking energy: -94.520
Base-Backbone interact. energy: -0.934
local terms energy: -223.224455
where:
bonds (distance) C4'-P energy: -76.242
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -42.062
tors. eta vs tors. theta energy: 11.791
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -335.310096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.310096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.310096 (E_RNA)
where:
Base-Base interactions energy: -122.231
where: short stacking energy: -94.612
Base-Backbone interact. energy: -2.839
local terms energy: -210.239938
where:
bonds (distance) C4'-P energy: -70.755
bonds (distance) P-C4' energy: -55.480
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -1.630
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: 177
Temperature: 0.900000
Total energy: -1402.244459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.244459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.244459 (E_RNA)
where:
Base-Base interactions energy: -968.986
where: short stacking energy: -391.737
Base-Backbone interact. energy: -1.244
local terms energy: -432.014954
where:
bonds (distance) C4'-P energy: -81.996
bonds (distance) P-C4' energy: -78.518
flat angles C4'-P-C4' energy: -92.660
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -124.211
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: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1338.647177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.647177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.647177 (E_RNA)
where:
Base-Base interactions energy: -932.826
where: short stacking energy: -380.238
Base-Backbone interact. energy: -5.769
local terms energy: -400.052433
where:
bonds (distance) C4'-P energy: -84.139
bonds (distance) P-C4' energy: -73.081
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -60.980
tors. eta vs tors. theta energy: -98.851
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1225.932592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.932592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.932592 (E_RNA)
where:
Base-Base interactions energy: -809.943
where: short stacking energy: -368.615
Base-Backbone interact. energy: -1.737
local terms energy: -414.252259
where:
bonds (distance) C4'-P energy: -76.224
bonds (distance) P-C4' energy: -78.253
flat angles C4'-P-C4' energy: -89.517
flat angles P-C4'-P energy: -55.179
tors. eta vs tors. theta energy: -115.078
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: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1192.925518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.925518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.925518 (E_RNA)
where:
Base-Base interactions energy: -783.209
where: short stacking energy: -323.390
Base-Backbone interact. energy: -2.010
local terms energy: -407.706496
where:
bonds (distance) C4'-P energy: -75.235
bonds (distance) P-C4' energy: -87.295
flat angles C4'-P-C4' energy: -81.578
flat angles P-C4'-P energy: -58.658
tors. eta vs tors. theta energy: -104.940
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: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1025.004817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.004817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.004817 (E_RNA)
where:
Base-Base interactions energy: -670.748
where: short stacking energy: -281.566
Base-Backbone interact. energy: -4.025
local terms energy: -350.231945
where:
bonds (distance) C4'-P energy: -66.524
bonds (distance) P-C4' energy: -75.040
flat angles C4'-P-C4' energy: -80.565
flat angles P-C4'-P energy: -53.466
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: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -841.786495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.786495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.786495 (E_RNA)
where:
Base-Base interactions energy: -538.458
where: short stacking energy: -242.351
Base-Backbone interact. energy: -0.581
local terms energy: -302.747297
where:
bonds (distance) C4'-P energy: -60.861
bonds (distance) P-C4' energy: -82.028
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -64.230
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: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -907.566992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.566992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.566992 (E_RNA)
where:
Base-Base interactions energy: -600.193
where: short stacking energy: -254.513
Base-Backbone interact. energy: 2.284
local terms energy: -309.658027
where:
bonds (distance) C4'-P energy: -68.549
bonds (distance) P-C4' energy: -59.290
flat angles C4'-P-C4' energy: -75.027
flat angles P-C4'-P energy: -48.998
tors. eta vs tors. theta energy: -57.794
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: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -478.300585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.300585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.300585 (E_RNA)
where:
Base-Base interactions energy: -234.569
where: short stacking energy: -125.648
Base-Backbone interact. energy: -1.300
local terms energy: -242.432103
where:
bonds (distance) C4'-P energy: -76.305
bonds (distance) P-C4' energy: -66.207
flat angles C4'-P-C4' energy: -54.576
flat angles P-C4'-P energy: -39.477
tors. eta vs tors. theta energy: -5.866
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: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -327.468475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.468475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.468475 (E_RNA)
where:
Base-Base interactions energy: -116.292
where: short stacking energy: -95.199
Base-Backbone interact. energy: -2.490
local terms energy: -208.686181
where:
bonds (distance) C4'-P energy: -64.312
bonds (distance) P-C4' energy: -67.956
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -30.782
tors. eta vs tors. theta energy: 12.245
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: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -310.201445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.201445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.201445 (E_RNA)
where:
Base-Base interactions energy: -99.494
where: short stacking energy: -53.000
Base-Backbone interact. energy: -1.064
local terms energy: -209.643258
where:
bonds (distance) C4'-P energy: -61.266
bonds (distance) P-C4' energy: -79.978
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -31.892
tors. eta vs tors. theta energy: 26.624
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1407.762509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.762509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.762509 (E_RNA)
where:
Base-Base interactions energy: -974.775
where: short stacking energy: -395.099
Base-Backbone interact. energy: -1.632
local terms energy: -431.356073
where:
bonds (distance) C4'-P energy: -81.962
bonds (distance) P-C4' energy: -73.308
flat angles C4'-P-C4' energy: -93.123
flat angles P-C4'-P energy: -61.656
tors. eta vs tors. theta energy: -121.307
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: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1357.652408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.652408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.652408 (E_RNA)
where:
Base-Base interactions energy: -951.604
where: short stacking energy: -386.886
Base-Backbone interact. energy: 0.563
local terms energy: -406.611983
where:
bonds (distance) C4'-P energy: -69.673
bonds (distance) P-C4' energy: -77.981
flat angles C4'-P-C4' energy: -83.690
flat angles P-C4'-P energy: -64.618
tors. eta vs tors. theta energy: -110.651
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: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1233.820055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.820055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.820055 (E_RNA)
where:
Base-Base interactions energy: -818.052
where: short stacking energy: -372.380
Base-Backbone interact. energy: -0.989
local terms energy: -414.779949
where:
bonds (distance) C4'-P energy: -77.227
bonds (distance) P-C4' energy: -76.218
flat angles C4'-P-C4' energy: -88.462
flat angles P-C4'-P energy: -52.799
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: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1171.681935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.681935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.681935 (E_RNA)
where:
Base-Base interactions energy: -782.064
where: short stacking energy: -317.913
Base-Backbone interact. energy: 0.819
local terms energy: -390.437241
where:
bonds (distance) C4'-P energy: -78.069
bonds (distance) P-C4' energy: -78.900
flat angles C4'-P-C4' energy: -85.660
flat angles P-C4'-P energy: -50.575
tors. eta vs tors. theta energy: -97.233
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1041.546058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.546058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.546058 (E_RNA)
where:
Base-Base interactions energy: -692.733
where: short stacking energy: -287.560
Base-Backbone interact. energy: -1.892
local terms energy: -346.921408
where:
bonds (distance) C4'-P energy: -70.452
bonds (distance) P-C4' energy: -67.347
flat angles C4'-P-C4' energy: -82.409
flat angles P-C4'-P energy: -50.462
tors. eta vs tors. theta energy: -76.251
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: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -857.414009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.414009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.414009 (E_RNA)
where:
Base-Base interactions energy: -542.401
where: short stacking energy: -270.582
Base-Backbone interact. energy: 0.118
local terms energy: -315.131662
where:
bonds (distance) C4'-P energy: -76.854
bonds (distance) P-C4' energy: -67.603
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -60.982
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: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -939.656242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.656242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.656242 (E_RNA)
where:
Base-Base interactions energy: -599.625
where: short stacking energy: -257.405
Base-Backbone interact. energy: -2.225
local terms energy: -337.806009
where:
bonds (distance) C4'-P energy: -76.402
bonds (distance) P-C4' energy: -64.511
flat angles C4'-P-C4' energy: -71.601
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -81.473
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: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -477.942190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.942190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.942190 (E_RNA)
where:
Base-Base interactions energy: -230.918
where: short stacking energy: -126.087
Base-Backbone interact. energy: 2.544
local terms energy: -249.568085
where:
bonds (distance) C4'-P energy: -67.885
bonds (distance) P-C4' energy: -60.380
flat angles C4'-P-C4' energy: -65.048
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -8.727
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: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -348.023093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.023093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.023093 (E_RNA)
where:
Base-Base interactions energy: -127.030
where: short stacking energy: -102.231
Base-Backbone interact. energy: 2.435
local terms energy: -223.427381
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -72.044
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -51.374
tors. eta vs tors. theta energy: 11.523
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: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -310.987048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.987048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.987048 (E_RNA)
where:
Base-Base interactions energy: -121.097
where: short stacking energy: -83.210
Base-Backbone interact. energy: 0.275
local terms energy: -190.164591
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -68.439
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: 12.389
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: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1425.177309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.177309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.177309 (E_RNA)
where:
Base-Base interactions energy: -988.073
where: short stacking energy: -404.270
Base-Backbone interact. energy: 1.256
local terms energy: -438.360492
where:
bonds (distance) C4'-P energy: -84.161
bonds (distance) P-C4' energy: -76.362
flat angles C4'-P-C4' energy: -91.025
flat angles P-C4'-P energy: -60.462
tors. eta vs tors. theta energy: -126.350
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: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1343.868226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.868226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.868226 (E_RNA)
where:
Base-Base interactions energy: -940.995
where: short stacking energy: -388.992
Base-Backbone interact. energy: -1.807
local terms energy: -401.066681
where:
bonds (distance) C4'-P energy: -75.163
bonds (distance) P-C4' energy: -87.659
flat angles C4'-P-C4' energy: -76.697
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -114.850
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: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1251.081206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.081206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.081206 (E_RNA)
where:
Base-Base interactions energy: -851.514
where: short stacking energy: -400.506
Base-Backbone interact. energy: -0.461
local terms energy: -399.106848
where:
bonds (distance) C4'-P energy: -55.940
bonds (distance) P-C4' energy: -73.933
flat angles C4'-P-C4' energy: -83.404
flat angles P-C4'-P energy: -59.345
tors. eta vs tors. theta energy: -126.486
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: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1198.695900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.695900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.695900 (E_RNA)
where:
Base-Base interactions energy: -817.324
where: short stacking energy: -360.619
Base-Backbone interact. energy: -1.200
local terms energy: -380.171451
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -47.808
flat angles C4'-P-C4' energy: -84.152
flat angles P-C4'-P energy: -66.484
tors. eta vs tors. theta energy: -108.139
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: 179
Temperature: 1.100000
Total energy: -1092.240785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.240785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.240785 (E_RNA)
where:
Base-Base interactions energy: -735.973
where: short stacking energy: -310.057
Base-Backbone interact. energy: 2.282
local terms energy: -358.549307
where:
bonds (distance) C4'-P energy: -73.875
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -76.634
flat angles P-C4'-P energy: -52.335
tors. eta vs tors. theta energy: -79.708
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: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -900.554186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.554186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.554186 (E_RNA)
where:
Base-Base interactions energy: -579.605
where: short stacking energy: -249.707
Base-Backbone interact. energy: 1.247
local terms energy: -322.195949
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -51.218
tors. eta vs tors. theta energy: -61.105
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: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -786.556282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.556282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.556282 (E_RNA)
where:
Base-Base interactions energy: -452.473
where: short stacking energy: -217.572
Base-Backbone interact. energy: -1.135
local terms energy: -332.947417
where:
bonds (distance) C4'-P energy: -78.984
bonds (distance) P-C4' energy: -82.427
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -45.029
tors. eta vs tors. theta energy: -60.279
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: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -483.741254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.741254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.741254 (E_RNA)
where:
Base-Base interactions energy: -219.360
where: short stacking energy: -122.681
Base-Backbone interact. energy: -2.806
local terms energy: -261.576215
where:
bonds (distance) C4'-P energy: -59.754
bonds (distance) P-C4' energy: -82.666
flat angles C4'-P-C4' energy: -68.602
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -10.528
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: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -333.807958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.807958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.807958 (E_RNA)
where:
Base-Base interactions energy: -106.795
where: short stacking energy: -99.882
Base-Backbone interact. energy: 3.121
local terms energy: -230.133348
where:
bonds (distance) C4'-P energy: -60.929
bonds (distance) P-C4' energy: -76.070
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: 6.876
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: 179
Temperature: 1.350000
Total energy: -322.337676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.337676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.337676 (E_RNA)
where:
Base-Base interactions energy: -128.436
where: short stacking energy: -85.778
Base-Backbone interact. energy: 0.295
local terms energy: -194.196878
where:
bonds (distance) C4'-P energy: -62.481
bonds (distance) P-C4' energy: -61.800
flat angles C4'-P-C4' energy: -58.902
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: 26.751
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: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1428.211227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.211227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.211227 (E_RNA)
where:
Base-Base interactions energy: -991.387
where: short stacking energy: -391.550
Base-Backbone interact. energy: -4.934
local terms energy: -431.890354
where:
bonds (distance) C4'-P energy: -76.547
bonds (distance) P-C4' energy: -80.492
flat angles C4'-P-C4' energy: -99.046
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -119.476
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: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1329.035689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.035689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.035689 (E_RNA)
where:
Base-Base interactions energy: -916.425
where: short stacking energy: -355.351
Base-Backbone interact. energy: -1.790
local terms energy: -410.820663
where:
bonds (distance) C4'-P energy: -82.821
bonds (distance) P-C4' energy: -69.622
flat angles C4'-P-C4' energy: -94.225
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -109.118
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: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1246.380716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.380716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.380716 (E_RNA)
where:
Base-Base interactions energy: -828.708
where: short stacking energy: -380.874
Base-Backbone interact. energy: -1.091
local terms energy: -416.581964
where:
bonds (distance) C4'-P energy: -74.064
bonds (distance) P-C4' energy: -81.221
flat angles C4'-P-C4' energy: -83.744
flat angles P-C4'-P energy: -63.086
tors. eta vs tors. theta energy: -114.467
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: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1194.841046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.841046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.841046 (E_RNA)
where:
Base-Base interactions energy: -814.298
where: short stacking energy: -357.962
Base-Backbone interact. energy: -0.944
local terms energy: -379.599221
where:
bonds (distance) C4'-P energy: -60.324
bonds (distance) P-C4' energy: -65.256
flat angles C4'-P-C4' energy: -79.208
flat angles P-C4'-P energy: -61.583
tors. eta vs tors. theta energy: -113.229
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: 180
Temperature: 1.100000
Total energy: -1062.510140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.510140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.510140 (E_RNA)
where:
Base-Base interactions energy: -731.458
where: short stacking energy: -295.067
Base-Backbone interact. energy: -1.748
local terms energy: -329.304522
where:
bonds (distance) C4'-P energy: -70.313
bonds (distance) P-C4' energy: -60.874
flat angles C4'-P-C4' energy: -78.670
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -82.424
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: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1017.736422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.736422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.736422 (E_RNA)
where:
Base-Base interactions energy: -670.118
where: short stacking energy: -276.115
Base-Backbone interact. energy: -0.565
local terms energy: -347.054120
where:
bonds (distance) C4'-P energy: -77.494
bonds (distance) P-C4' energy: -78.056
flat angles C4'-P-C4' energy: -75.794
flat angles P-C4'-P energy: -43.672
tors. eta vs tors. theta energy: -72.040
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: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -759.503644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.503644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.503644 (E_RNA)
where:
Base-Base interactions energy: -469.302
where: short stacking energy: -210.936
Base-Backbone interact. energy: -1.341
local terms energy: -288.861395
where:
bonds (distance) C4'-P energy: -65.115
bonds (distance) P-C4' energy: -65.088
flat angles C4'-P-C4' energy: -68.098
flat angles P-C4'-P energy: -43.387
tors. eta vs tors. theta energy: -47.174
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -431.628730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.628730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.628730 (E_RNA)
where:
Base-Base interactions energy: -201.038
where: short stacking energy: -131.129
Base-Backbone interact. energy: -1.637
local terms energy: -228.953718
where:
bonds (distance) C4'-P energy: -56.109
bonds (distance) P-C4' energy: -74.087
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: 2.128
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: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -367.837397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.837397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.837397 (E_RNA)
where:
Base-Base interactions energy: -153.573
where: short stacking energy: -97.272
Base-Backbone interact. energy: -1.294
local terms energy: -212.970727
where:
bonds (distance) C4'-P energy: -64.319
bonds (distance) P-C4' energy: -59.551
flat angles C4'-P-C4' energy: -58.045
flat angles P-C4'-P energy: -38.959
tors. eta vs tors. theta energy: 7.904
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: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -311.439180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.439180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.439180 (E_RNA)
where:
Base-Base interactions energy: -97.417
where: short stacking energy: -91.270
Base-Backbone interact. energy: -0.626
local terms energy: -213.396191
where:
bonds (distance) C4'-P energy: -65.480
bonds (distance) P-C4' energy: -71.295
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: 13.919
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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1413.108494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.108494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.108494 (E_RNA)
where:
Base-Base interactions energy: -975.214
where: short stacking energy: -400.520
Base-Backbone interact. energy: -2.433
local terms energy: -435.462419
where:
bonds (distance) C4'-P energy: -77.679
bonds (distance) P-C4' energy: -79.265
flat angles C4'-P-C4' energy: -90.081
flat angles P-C4'-P energy: -64.358
tors. eta vs tors. theta energy: -124.079
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: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1347.148546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.148546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.148546 (E_RNA)
where:
Base-Base interactions energy: -933.065
where: short stacking energy: -380.731
Base-Backbone interact. energy: -2.520
local terms energy: -411.563626
where:
bonds (distance) C4'-P energy: -70.751
bonds (distance) P-C4' energy: -82.104
flat angles C4'-P-C4' energy: -90.083
flat angles P-C4'-P energy: -54.267
tors. eta vs tors. theta energy: -114.359
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: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1227.581378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.581378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.581378 (E_RNA)
where:
Base-Base interactions energy: -822.220
where: short stacking energy: -375.990
Base-Backbone interact. energy: 2.844
local terms energy: -408.205105
where:
bonds (distance) C4'-P energy: -73.415
bonds (distance) P-C4' energy: -73.630
flat angles C4'-P-C4' energy: -91.459
flat angles P-C4'-P energy: -54.644
tors. eta vs tors. theta energy: -115.057
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: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1249.486902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.486902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.486902 (E_RNA)
where:
Base-Base interactions energy: -841.572
where: short stacking energy: -360.990
Base-Backbone interact. energy: 0.597
local terms energy: -408.511782
where:
bonds (distance) C4'-P energy: -68.776
bonds (distance) P-C4' energy: -72.199
flat angles C4'-P-C4' energy: -92.497
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -117.785
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: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1063.353038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.353038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.353038 (E_RNA)
where:
Base-Base interactions energy: -714.940
where: short stacking energy: -284.795
Base-Backbone interact. energy: 0.168
local terms energy: -348.580457
where:
bonds (distance) C4'-P energy: -71.615
bonds (distance) P-C4' energy: -71.166
flat angles C4'-P-C4' energy: -75.056
flat angles P-C4'-P energy: -48.846
tors. eta vs tors. theta energy: -81.898
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: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -977.735047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.735047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.735047 (E_RNA)
where:
Base-Base interactions energy: -621.680
where: short stacking energy: -267.037
Base-Backbone interact. energy: 0.807
local terms energy: -356.861687
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -78.815
flat angles C4'-P-C4' energy: -84.643
flat angles P-C4'-P energy: -50.995
tors. eta vs tors. theta energy: -71.676
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: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -758.311099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.311099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.311099 (E_RNA)
where:
Base-Base interactions energy: -451.310
where: short stacking energy: -216.954
Base-Backbone interact. energy: 0.866
local terms energy: -307.867177
where:
bonds (distance) C4'-P energy: -70.169
bonds (distance) P-C4' energy: -65.640
flat angles C4'-P-C4' energy: -78.840
flat angles P-C4'-P energy: -46.261
tors. eta vs tors. theta energy: -46.957
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: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -500.906236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.906236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.906236 (E_RNA)
where:
Base-Base interactions energy: -237.261
where: short stacking energy: -139.901
Base-Backbone interact. energy: -0.561
local terms energy: -263.084722
where:
bonds (distance) C4'-P energy: -71.485
bonds (distance) P-C4' energy: -71.702
flat angles C4'-P-C4' energy: -65.956
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -19.816
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: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -355.484699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.484699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.484699 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -108.576
Base-Backbone interact. energy: -0.916
local terms energy: -222.152508
where:
bonds (distance) C4'-P energy: -77.005
bonds (distance) P-C4' energy: -57.173
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -42.576
tors. eta vs tors. theta energy: 7.610
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: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -356.638078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.638078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.638078 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -88.155
Base-Backbone interact. energy: 0.480
local terms energy: -215.030023
where:
bonds (distance) C4'-P energy: -57.615
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -49.075
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: 2.226
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: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1413.684830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.684830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.684830 (E_RNA)
where:
Base-Base interactions energy: -964.377
where: short stacking energy: -389.525
Base-Backbone interact. energy: -3.947
local terms energy: -445.361393
where:
bonds (distance) C4'-P energy: -83.475
bonds (distance) P-C4' energy: -86.936
flat angles C4'-P-C4' energy: -95.137
flat angles P-C4'-P energy: -60.340
tors. eta vs tors. theta energy: -119.473
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: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1336.300191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.300191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.300191 (E_RNA)
where:
Base-Base interactions energy: -907.794
where: short stacking energy: -381.496
Base-Backbone interact. energy: -0.134
local terms energy: -428.372749
where:
bonds (distance) C4'-P energy: -82.897
bonds (distance) P-C4' energy: -75.589
flat angles C4'-P-C4' energy: -87.130
flat angles P-C4'-P energy: -65.457
tors. eta vs tors. theta energy: -117.299
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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1222.325241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.325241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.325241 (E_RNA)
where:
Base-Base interactions energy: -805.421
where: short stacking energy: -358.520
Base-Backbone interact. energy: -1.281
local terms energy: -415.623801
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -78.369
flat angles C4'-P-C4' energy: -78.387
flat angles P-C4'-P energy: -60.707
tors. eta vs tors. theta energy: -114.912
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1217.213259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.213259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.213259 (E_RNA)
where:
Base-Base interactions energy: -824.997
where: short stacking energy: -351.068
Base-Backbone interact. energy: -0.569
local terms energy: -391.647389
where:
bonds (distance) C4'-P energy: -66.791
bonds (distance) P-C4' energy: -74.003
flat angles C4'-P-C4' energy: -79.384
flat angles P-C4'-P energy: -60.385
tors. eta vs tors. theta energy: -111.084
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: 182
Temperature: 1.100000
Total energy: -1046.500180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.500180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.500180 (E_RNA)
where:
Base-Base interactions energy: -703.646
where: short stacking energy: -278.131
Base-Backbone interact. energy: -0.886
local terms energy: -341.968709
where:
bonds (distance) C4'-P energy: -73.474
bonds (distance) P-C4' energy: -73.292
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -47.990
tors. eta vs tors. theta energy: -82.977
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: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1015.560059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.560059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.560059 (E_RNA)
where:
Base-Base interactions energy: -683.832
where: short stacking energy: -292.181
Base-Backbone interact. energy: -0.977
local terms energy: -330.751831
where:
bonds (distance) C4'-P energy: -62.142
bonds (distance) P-C4' energy: -72.965
flat angles C4'-P-C4' energy: -73.438
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -83.818
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: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -871.331355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.331355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.331355 (E_RNA)
where:
Base-Base interactions energy: -562.332
where: short stacking energy: -259.693
Base-Backbone interact. energy: -1.991
local terms energy: -307.008422
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -75.892
flat angles C4'-P-C4' energy: -62.124
flat angles P-C4'-P energy: -50.886
tors. eta vs tors. theta energy: -60.994
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: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -487.405448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.405448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.405448 (E_RNA)
where:
Base-Base interactions energy: -232.499
where: short stacking energy: -142.986
Base-Backbone interact. energy: -0.076
local terms energy: -254.831304
where:
bonds (distance) C4'-P energy: -76.472
bonds (distance) P-C4' energy: -68.661
flat angles C4'-P-C4' energy: -63.520
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -13.768
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: 182
Temperature: 1.300000
Total energy: -379.939009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.939009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.939009 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -124.522
Base-Backbone interact. energy: -1.406
local terms energy: -215.282664
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -77.656
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: 3.370
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: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -306.769931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.769931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.769931 (E_RNA)
where:
Base-Base interactions energy: -112.586
where: short stacking energy: -84.407
Base-Backbone interact. energy: 3.778
local terms energy: -197.962480
where:
bonds (distance) C4'-P energy: -59.692
bonds (distance) P-C4' energy: -73.883
flat angles C4'-P-C4' energy: -38.855
flat angles P-C4'-P energy: -37.143
tors. eta vs tors. theta energy: 11.611
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: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1404.355345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.355345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.355345 (E_RNA)
where:
Base-Base interactions energy: -991.232
where: short stacking energy: -395.715
Base-Backbone interact. energy: -2.496
local terms energy: -410.627790
where:
bonds (distance) C4'-P energy: -68.286
bonds (distance) P-C4' energy: -81.523
flat angles C4'-P-C4' energy: -90.928
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: -120.542
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: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1353.036404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.036404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.036404 (E_RNA)
where:
Base-Base interactions energy: -936.245
where: short stacking energy: -377.309
Base-Backbone interact. energy: -1.704
local terms energy: -415.086873
where:
bonds (distance) C4'-P energy: -69.371
bonds (distance) P-C4' energy: -88.085
flat angles C4'-P-C4' energy: -86.592
flat angles P-C4'-P energy: -56.088
tors. eta vs tors. theta energy: -114.951
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: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1220.299050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.299050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.299050 (E_RNA)
where:
Base-Base interactions energy: -820.881
where: short stacking energy: -360.858
Base-Backbone interact. energy: -0.568
local terms energy: -398.850451
where:
bonds (distance) C4'-P energy: -64.205
bonds (distance) P-C4' energy: -77.587
flat angles C4'-P-C4' energy: -87.022
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -120.547
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: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1224.432269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.432269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.432269 (E_RNA)
where:
Base-Base interactions energy: -825.375
where: short stacking energy: -369.626
Base-Backbone interact. energy: 0.292
local terms energy: -399.349516
where:
bonds (distance) C4'-P energy: -76.147
bonds (distance) P-C4' energy: -60.825
flat angles C4'-P-C4' energy: -91.066
flat angles P-C4'-P energy: -56.257
tors. eta vs tors. theta energy: -115.055
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: 183
Temperature: 1.100000
Total energy: -1059.674405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.674405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.674405 (E_RNA)
where:
Base-Base interactions energy: -710.068
where: short stacking energy: -271.359
Base-Backbone interact. energy: 3.756
local terms energy: -353.362836
where:
bonds (distance) C4'-P energy: -75.111
bonds (distance) P-C4' energy: -83.884
flat angles C4'-P-C4' energy: -79.117
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -71.506
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: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1037.249522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.249522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.249522 (E_RNA)
where:
Base-Base interactions energy: -697.684
where: short stacking energy: -296.649
Base-Backbone interact. energy: -1.676
local terms energy: -337.889257
where:
bonds (distance) C4'-P energy: -55.945
bonds (distance) P-C4' energy: -64.839
flat angles C4'-P-C4' energy: -78.960
flat angles P-C4'-P energy: -56.871
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: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -848.492293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.492293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.492293 (E_RNA)
where:
Base-Base interactions energy: -552.867
where: short stacking energy: -247.073
Base-Backbone interact. energy: -0.740
local terms energy: -294.885592
where:
bonds (distance) C4'-P energy: -60.336
bonds (distance) P-C4' energy: -75.263
flat angles C4'-P-C4' energy: -64.380
flat angles P-C4'-P energy: -42.030
tors. eta vs tors. theta energy: -52.876
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: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -467.197734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.197734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.197734 (E_RNA)
where:
Base-Base interactions energy: -217.712
where: short stacking energy: -137.058
Base-Backbone interact. energy: 0.861
local terms energy: -250.347019
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -65.250
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -37.339
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: 183
Temperature: 1.300000
Total energy: -344.180604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.180604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.180604 (E_RNA)
where:
Base-Base interactions energy: -116.461
where: short stacking energy: -92.458
Base-Backbone interact. energy: -1.834
local terms energy: -225.885915
where:
bonds (distance) C4'-P energy: -61.425
bonds (distance) P-C4' energy: -84.330
flat angles C4'-P-C4' energy: -56.927
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: 9.358
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: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -299.032957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.032957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.032957 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -104.103
Base-Backbone interact. energy: 9.741
local terms energy: -193.336303
where:
bonds (distance) C4'-P energy: -72.502
bonds (distance) P-C4' energy: -67.706
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -32.131
tors. eta vs tors. theta energy: 21.530
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: 184
Temperature: 0.900000
Total energy: -1400.791452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.791452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.791452 (E_RNA)
where:
Base-Base interactions energy: -979.456
where: short stacking energy: -407.328
Base-Backbone interact. energy: -2.126
local terms energy: -419.208859
where:
bonds (distance) C4'-P energy: -80.071
bonds (distance) P-C4' energy: -75.931
flat angles C4'-P-C4' energy: -83.104
flat angles P-C4'-P energy: -61.044
tors. eta vs tors. theta energy: -119.060
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: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1325.070488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.070488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.070488 (E_RNA)
where:
Base-Base interactions energy: -908.402
where: short stacking energy: -385.777
Base-Backbone interact. energy: -1.386
local terms energy: -415.281813
where:
bonds (distance) C4'-P energy: -72.219
bonds (distance) P-C4' energy: -83.209
flat angles C4'-P-C4' energy: -90.210
flat angles P-C4'-P energy: -67.158
tors. eta vs tors. theta energy: -102.485
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: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1248.226238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.226238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.226238 (E_RNA)
where:
Base-Base interactions energy: -820.304
where: short stacking energy: -373.402
Base-Backbone interact. energy: -0.836
local terms energy: -427.085602
where:
bonds (distance) C4'-P energy: -79.149
bonds (distance) P-C4' energy: -87.928
flat angles C4'-P-C4' energy: -88.592
flat angles P-C4'-P energy: -58.198
tors. eta vs tors. theta energy: -113.219
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1186.565785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.565785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.565785 (E_RNA)
where:
Base-Base interactions energy: -788.652
where: short stacking energy: -334.125
Base-Backbone interact. energy: 1.059
local terms energy: -398.973089
where:
bonds (distance) C4'-P energy: -69.574
bonds (distance) P-C4' energy: -71.989
flat angles C4'-P-C4' energy: -86.259
flat angles P-C4'-P energy: -58.882
tors. eta vs tors. theta energy: -112.270
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: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1065.440281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.440281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.440281 (E_RNA)
where:
Base-Base interactions energy: -710.044
where: short stacking energy: -314.059
Base-Backbone interact. energy: 1.587
local terms energy: -356.983168
where:
bonds (distance) C4'-P energy: -76.057
bonds (distance) P-C4' energy: -70.084
flat angles C4'-P-C4' energy: -70.424
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -91.503
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: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1046.946313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.946313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.946313 (E_RNA)
where:
Base-Base interactions energy: -713.853
where: short stacking energy: -283.887
Base-Backbone interact. energy: 2.674
local terms energy: -335.767234
where:
bonds (distance) C4'-P energy: -61.794
bonds (distance) P-C4' energy: -78.978
flat angles C4'-P-C4' energy: -69.725
flat angles P-C4'-P energy: -39.291
tors. eta vs tors. theta energy: -85.978
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: 184
Temperature: 1.200000
Total energy: -844.215060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.215060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.215060 (E_RNA)
where:
Base-Base interactions energy: -554.017
where: short stacking energy: -236.032
Base-Backbone interact. energy: -1.826
local terms energy: -288.371883
where:
bonds (distance) C4'-P energy: -67.504
bonds (distance) P-C4' energy: -64.419
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -44.478
tors. eta vs tors. theta energy: -51.252
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: 184
Temperature: 1.250000
Total energy: -507.729155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.729155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.729155 (E_RNA)
where:
Base-Base interactions energy: -232.482
where: short stacking energy: -133.094
Base-Backbone interact. energy: -0.949
local terms energy: -274.297603
where:
bonds (distance) C4'-P energy: -80.008
bonds (distance) P-C4' energy: -61.722
flat angles C4'-P-C4' energy: -73.837
flat angles P-C4'-P energy: -51.614
tors. eta vs tors. theta energy: -7.116
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: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -349.280231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.280231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.280231 (E_RNA)
where:
Base-Base interactions energy: -116.106
where: short stacking energy: -101.428
Base-Backbone interact. energy: 0.785
local terms energy: -233.959066
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -69.819
flat angles C4'-P-C4' energy: -48.717
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -1.983
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: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -313.538819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.538819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.538819 (E_RNA)
where:
Base-Base interactions energy: -88.868
where: short stacking energy: -71.430
Base-Backbone interact. energy: 2.828
local terms energy: -227.498424
where:
bonds (distance) C4'-P energy: -73.219
bonds (distance) P-C4' energy: -72.699
flat angles C4'-P-C4' energy: -56.322
flat angles P-C4'-P energy: -36.259
tors. eta vs tors. theta energy: 11.001
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: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1411.812336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.812336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.812336 (E_RNA)
where:
Base-Base interactions energy: -985.252
where: short stacking energy: -391.166
Base-Backbone interact. energy: -3.291
local terms energy: -423.269200
where:
bonds (distance) C4'-P energy: -80.339
bonds (distance) P-C4' energy: -69.430
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -58.068
tors. eta vs tors. theta energy: -124.157
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: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1340.853394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.853394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.853394 (E_RNA)
where:
Base-Base interactions energy: -925.710
where: short stacking energy: -380.015
Base-Backbone interact. energy: -2.430
local terms energy: -412.713828
where:
bonds (distance) C4'-P energy: -92.018
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -93.130
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -101.008
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: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1223.205899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.205899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.205899 (E_RNA)
where:
Base-Base interactions energy: -813.666
where: short stacking energy: -361.627
Base-Backbone interact. energy: -0.307
local terms energy: -409.233098
where:
bonds (distance) C4'-P energy: -78.698
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -86.537
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -111.922
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: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1188.400139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.400139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.400139 (E_RNA)
where:
Base-Base interactions energy: -790.326
where: short stacking energy: -329.521
Base-Backbone interact. energy: 0.418
local terms energy: -398.492480
where:
bonds (distance) C4'-P energy: -76.335
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -102.680
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: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1145.662945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.662945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.662945 (E_RNA)
where:
Base-Base interactions energy: -756.549
where: short stacking energy: -327.846
Base-Backbone interact. energy: -0.479
local terms energy: -388.634519
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -78.163
flat angles C4'-P-C4' energy: -87.487
flat angles P-C4'-P energy: -69.409
tors. eta vs tors. theta energy: -95.017
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: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1054.651452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.651452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.651452 (E_RNA)
where:
Base-Base interactions energy: -722.389
where: short stacking energy: -308.889
Base-Backbone interact. energy: 1.785
local terms energy: -334.047352
where:
bonds (distance) C4'-P energy: -50.840
bonds (distance) P-C4' energy: -77.115
flat angles C4'-P-C4' energy: -85.310
flat angles P-C4'-P energy: -42.743
tors. eta vs tors. theta energy: -78.039
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: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -859.230172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.230172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.230172 (E_RNA)
where:
Base-Base interactions energy: -547.157
where: short stacking energy: -235.766
Base-Backbone interact. energy: 0.101
local terms energy: -312.174991
where:
bonds (distance) C4'-P energy: -55.945
bonds (distance) P-C4' energy: -67.473
flat angles C4'-P-C4' energy: -75.648
flat angles P-C4'-P energy: -51.231
tors. eta vs tors. theta energy: -61.878
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: 185
Temperature: 1.250000
Total energy: -515.381571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.381571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.381571 (E_RNA)
where:
Base-Base interactions energy: -290.743
where: short stacking energy: -145.643
Base-Backbone interact. energy: -0.475
local terms energy: -224.163641
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -63.751
flat angles C4'-P-C4' energy: -72.813
flat angles P-C4'-P energy: -29.790
tors. eta vs tors. theta energy: -11.641
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: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -357.312338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.312338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.312338 (E_RNA)
where:
Base-Base interactions energy: -155.560
where: short stacking energy: -94.819
Base-Backbone interact. energy: -1.634
local terms energy: -200.118800
where:
bonds (distance) C4'-P energy: -63.666
bonds (distance) P-C4' energy: -69.569
flat angles C4'-P-C4' energy: -47.822
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: 13.959
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: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -342.814489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.814489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.814489 (E_RNA)
where:
Base-Base interactions energy: -90.280
where: short stacking energy: -78.633
Base-Backbone interact. energy: 1.456
local terms energy: -253.990658
where:
bonds (distance) C4'-P energy: -79.775
bonds (distance) P-C4' energy: -77.363
flat angles C4'-P-C4' energy: -74.506
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: 17.072
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: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1433.130826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.130826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.130826 (E_RNA)
where:
Base-Base interactions energy: -983.852
where: short stacking energy: -394.636
Base-Backbone interact. energy: -4.356
local terms energy: -444.922701
where:
bonds (distance) C4'-P energy: -86.725
bonds (distance) P-C4' energy: -81.944
flat angles C4'-P-C4' energy: -84.462
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -124.651
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: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1329.349557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.349557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.349557 (E_RNA)
where:
Base-Base interactions energy: -917.060
where: short stacking energy: -373.258
Base-Backbone interact. energy: -0.171
local terms energy: -412.119164
where:
bonds (distance) C4'-P energy: -79.555
bonds (distance) P-C4' energy: -79.472
flat angles C4'-P-C4' energy: -83.465
flat angles P-C4'-P energy: -56.820
tors. eta vs tors. theta energy: -112.807
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: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1253.833863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.833863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.833863 (E_RNA)
where:
Base-Base interactions energy: -831.167
where: short stacking energy: -343.207
Base-Backbone interact. energy: -0.873
local terms energy: -421.793715
where:
bonds (distance) C4'-P energy: -77.829
bonds (distance) P-C4' energy: -81.874
flat angles C4'-P-C4' energy: -91.553
flat angles P-C4'-P energy: -56.052
tors. eta vs tors. theta energy: -114.485
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: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1184.010245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.010245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.010245 (E_RNA)
where:
Base-Base interactions energy: -784.610
where: short stacking energy: -343.744
Base-Backbone interact. energy: -0.688
local terms energy: -398.711752
where:
bonds (distance) C4'-P energy: -85.080
bonds (distance) P-C4' energy: -71.888
flat angles C4'-P-C4' energy: -86.442
flat angles P-C4'-P energy: -53.457
tors. eta vs tors. theta energy: -101.844
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: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1148.203201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.203201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.203201 (E_RNA)
where:
Base-Base interactions energy: -773.799
where: short stacking energy: -318.686
Base-Backbone interact. energy: -3.055
local terms energy: -371.349925
where:
bonds (distance) C4'-P energy: -76.358
bonds (distance) P-C4' energy: -59.588
flat angles C4'-P-C4' energy: -85.817
flat angles P-C4'-P energy: -52.700
tors. eta vs tors. theta energy: -96.886
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: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -970.703675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.703675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.703675 (E_RNA)
where:
Base-Base interactions energy: -649.047
where: short stacking energy: -278.242
Base-Backbone interact. energy: -1.017
local terms energy: -320.640363
where:
bonds (distance) C4'-P energy: -59.158
bonds (distance) P-C4' energy: -60.634
flat angles C4'-P-C4' energy: -73.459
flat angles P-C4'-P energy: -55.467
tors. eta vs tors. theta energy: -71.923
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: 186
Temperature: 1.200000
Total energy: -894.349127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.349127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.349127 (E_RNA)
where:
Base-Base interactions energy: -586.354
where: short stacking energy: -258.761
Base-Backbone interact. energy: -0.819
local terms energy: -307.175777
where:
bonds (distance) C4'-P energy: -56.477
bonds (distance) P-C4' energy: -77.297
flat angles C4'-P-C4' energy: -78.484
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: -64.883
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: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -462.422062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.422062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.422062 (E_RNA)
where:
Base-Base interactions energy: -216.917
where: short stacking energy: -128.350
Base-Backbone interact. energy: -0.252
local terms energy: -245.253028
where:
bonds (distance) C4'-P energy: -78.728
bonds (distance) P-C4' energy: -69.733
flat angles C4'-P-C4' energy: -64.331
flat angles P-C4'-P energy: -35.558
tors. eta vs tors. theta energy: 3.097
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: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -353.425816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.425816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.425816 (E_RNA)
where:
Base-Base interactions energy: -130.121
where: short stacking energy: -96.735
Base-Backbone interact. energy: 0.706
local terms energy: -224.010816
where:
bonds (distance) C4'-P energy: -68.074
bonds (distance) P-C4' energy: -67.186
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -35.720
tors. eta vs tors. theta energy: 5.668
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -339.244512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.244512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.244512 (E_RNA)
where:
Base-Base interactions energy: -133.187
where: short stacking energy: -94.877
Base-Backbone interact. energy: 4.155
local terms energy: -210.212698
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -62.471
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: 2.341
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: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1410.017235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.017235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.017235 (E_RNA)
where:
Base-Base interactions energy: -980.102
where: short stacking energy: -399.658
Base-Backbone interact. energy: -0.136
local terms energy: -429.779191
where:
bonds (distance) C4'-P energy: -73.258
bonds (distance) P-C4' energy: -87.408
flat angles C4'-P-C4' energy: -89.183
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: -121.795
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: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1345.214717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.214717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.214717 (E_RNA)
where:
Base-Base interactions energy: -928.099
where: short stacking energy: -375.097
Base-Backbone interact. energy: -1.932
local terms energy: -415.183732
where:
bonds (distance) C4'-P energy: -79.283
bonds (distance) P-C4' energy: -76.767
flat angles C4'-P-C4' energy: -84.530
flat angles P-C4'-P energy: -64.698
tors. eta vs tors. theta energy: -109.906
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1221.010604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.010604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.010604 (E_RNA)
where:
Base-Base interactions energy: -808.895
where: short stacking energy: -339.197
Base-Backbone interact. energy: -2.187
local terms energy: -409.928907
where:
bonds (distance) C4'-P energy: -78.017
bonds (distance) P-C4' energy: -82.250
flat angles C4'-P-C4' energy: -85.510
flat angles P-C4'-P energy: -50.313
tors. eta vs tors. theta energy: -113.839
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1185.413543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.413543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.413543 (E_RNA)
where:
Base-Base interactions energy: -814.653
where: short stacking energy: -371.495
Base-Backbone interact. energy: -1.511
local terms energy: -369.248970
where:
bonds (distance) C4'-P energy: -62.285
bonds (distance) P-C4' energy: -65.284
flat angles C4'-P-C4' energy: -88.572
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -109.007
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: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1124.426934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.426934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.426934 (E_RNA)
where:
Base-Base interactions energy: -749.976
where: short stacking energy: -318.443
Base-Backbone interact. energy: -0.588
local terms energy: -373.862464
where:
bonds (distance) C4'-P energy: -69.243
bonds (distance) P-C4' energy: -81.769
flat angles C4'-P-C4' energy: -74.675
flat angles P-C4'-P energy: -55.814
tors. eta vs tors. theta energy: -92.362
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: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -912.860958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.860958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.860958 (E_RNA)
where:
Base-Base interactions energy: -604.163
where: short stacking energy: -267.731
Base-Backbone interact. energy: -1.691
local terms energy: -307.006511
where:
bonds (distance) C4'-P energy: -57.894
bonds (distance) P-C4' energy: -63.207
flat angles C4'-P-C4' energy: -68.590
flat angles P-C4'-P energy: -44.080
tors. eta vs tors. theta energy: -73.236
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: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -935.123865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.123865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.123865 (E_RNA)
where:
Base-Base interactions energy: -631.945
where: short stacking energy: -258.530
Base-Backbone interact. energy: -0.400
local terms energy: -302.779701
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -61.042
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -59.851
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: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -497.811568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.811568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.811568 (E_RNA)
where:
Base-Base interactions energy: -255.184
where: short stacking energy: -101.225
Base-Backbone interact. energy: -1.508
local terms energy: -241.119708
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -63.164
flat angles C4'-P-C4' energy: -70.913
flat angles P-C4'-P energy: -41.676
tors. eta vs tors. theta energy: 5.543
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -340.776749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.776749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.776749 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -98.322
Base-Backbone interact. energy: -1.896
local terms energy: -219.663518
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -67.158
flat angles C4'-P-C4' energy: -60.703
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: 6.339
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: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -339.136920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.136920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.136920 (E_RNA)
where:
Base-Base interactions energy: -131.869
where: short stacking energy: -99.453
Base-Backbone interact. energy: 3.249
local terms energy: -210.517558
where:
bonds (distance) C4'-P energy: -71.209
bonds (distance) P-C4' energy: -66.146
flat angles C4'-P-C4' energy: -69.347
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: 10.985
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: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1404.156811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.156811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.156811 (E_RNA)
where:
Base-Base interactions energy: -984.112
where: short stacking energy: -401.139
Base-Backbone interact. energy: -3.576
local terms energy: -416.469137
where:
bonds (distance) C4'-P energy: -70.973
bonds (distance) P-C4' energy: -77.925
flat angles C4'-P-C4' energy: -83.766
flat angles P-C4'-P energy: -64.888
tors. eta vs tors. theta energy: -118.918
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: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1328.725976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.725976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.725976 (E_RNA)
where:
Base-Base interactions energy: -911.295
where: short stacking energy: -369.001
Base-Backbone interact. energy: -2.163
local terms energy: -415.268487
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -77.777
flat angles C4'-P-C4' energy: -88.991
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: -113.213
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: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1186.598264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.598264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.598264 (E_RNA)
where:
Base-Base interactions energy: -798.147
where: short stacking energy: -348.196
Base-Backbone interact. energy: -2.075
local terms energy: -386.375996
where:
bonds (distance) C4'-P energy: -67.034
bonds (distance) P-C4' energy: -71.756
flat angles C4'-P-C4' energy: -83.028
flat angles P-C4'-P energy: -54.936
tors. eta vs tors. theta energy: -109.622
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: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1201.301344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.301344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.301344 (E_RNA)
where:
Base-Base interactions energy: -793.238
where: short stacking energy: -356.182
Base-Backbone interact. energy: -0.086
local terms energy: -407.976548
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -74.001
flat angles C4'-P-C4' energy: -90.149
flat angles P-C4'-P energy: -59.145
tors. eta vs tors. theta energy: -117.425
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: 188
Temperature: 1.100000
Total energy: -1161.699176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.699176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.699176 (E_RNA)
where:
Base-Base interactions energy: -798.514
where: short stacking energy: -334.431
Base-Backbone interact. energy: -1.101
local terms energy: -362.084529
where:
bonds (distance) C4'-P energy: -73.503
bonds (distance) P-C4' energy: -70.751
flat angles C4'-P-C4' energy: -80.113
flat angles P-C4'-P energy: -42.470
tors. eta vs tors. theta energy: -95.247
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: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -926.355626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.355626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.355626 (E_RNA)
where:
Base-Base interactions energy: -597.366
where: short stacking energy: -258.758
Base-Backbone interact. energy: -0.257
local terms energy: -328.732713
where:
bonds (distance) C4'-P energy: -69.204
bonds (distance) P-C4' energy: -63.649
flat angles C4'-P-C4' energy: -80.499
flat angles P-C4'-P energy: -48.734
tors. eta vs tors. theta energy: -66.648
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: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -865.443186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.443186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.443186 (E_RNA)
where:
Base-Base interactions energy: -567.784
where: short stacking energy: -211.589
Base-Backbone interact. energy: 7.230
local terms energy: -304.889221
where:
bonds (distance) C4'-P energy: -69.041
bonds (distance) P-C4' energy: -70.749
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -62.023
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: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -511.777547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.777547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.777547 (E_RNA)
where:
Base-Base interactions energy: -259.890
where: short stacking energy: -129.958
Base-Backbone interact. energy: -1.754
local terms energy: -250.133950
where:
bonds (distance) C4'-P energy: -57.707
bonds (distance) P-C4' energy: -62.784
flat angles C4'-P-C4' energy: -68.263
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: -13.153
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: 188
Temperature: 1.300000
Total energy: -341.776172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.776172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.776172 (E_RNA)
where:
Base-Base interactions energy: -137.988
where: short stacking energy: -89.535
Base-Backbone interact. energy: -2.162
local terms energy: -201.626645
where:
bonds (distance) C4'-P energy: -60.880
bonds (distance) P-C4' energy: -67.749
flat angles C4'-P-C4' energy: -59.828
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: 16.129
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -333.779322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.779322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.779322 (E_RNA)
where:
Base-Base interactions energy: -105.312
where: short stacking energy: -86.821
Base-Backbone interact. energy: -0.290
local terms energy: -228.177323
where:
bonds (distance) C4'-P energy: -73.155
bonds (distance) P-C4' energy: -83.163
flat angles C4'-P-C4' energy: -45.136
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: 14.821
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: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1411.826084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.826084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.826084 (E_RNA)
where:
Base-Base interactions energy: -973.934
where: short stacking energy: -396.797
Base-Backbone interact. energy: -3.355
local terms energy: -434.537188
where:
bonds (distance) C4'-P energy: -80.835
bonds (distance) P-C4' energy: -82.107
flat angles C4'-P-C4' energy: -91.978
flat angles P-C4'-P energy: -55.492
tors. eta vs tors. theta energy: -124.125
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: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1350.118303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.118303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.118303 (E_RNA)
where:
Base-Base interactions energy: -922.745
where: short stacking energy: -374.535
Base-Backbone interact. energy: -2.567
local terms energy: -424.805550
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -81.947
flat angles C4'-P-C4' energy: -96.652
flat angles P-C4'-P energy: -62.895
tors. eta vs tors. theta energy: -112.719
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: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1192.765099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.765099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.765099 (E_RNA)
where:
Base-Base interactions energy: -796.988
where: short stacking energy: -351.814
Base-Backbone interact. energy: -0.207
local terms energy: -395.570706
where:
bonds (distance) C4'-P energy: -73.572
bonds (distance) P-C4' energy: -76.299
flat angles C4'-P-C4' energy: -87.092
flat angles P-C4'-P energy: -54.018
tors. eta vs tors. theta energy: -104.589
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: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1174.835898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.835898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.835898 (E_RNA)
where:
Base-Base interactions energy: -809.307
where: short stacking energy: -321.761
Base-Backbone interact. energy: 2.767
local terms energy: -368.295509
where:
bonds (distance) C4'-P energy: -76.625
bonds (distance) P-C4' energy: -74.140
flat angles C4'-P-C4' energy: -74.913
flat angles P-C4'-P energy: -54.370
tors. eta vs tors. theta energy: -88.247
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1186.128902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.128902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.128902 (E_RNA)
where:
Base-Base interactions energy: -783.769
where: short stacking energy: -330.755
Base-Backbone interact. energy: -0.172
local terms energy: -402.187666
where:
bonds (distance) C4'-P energy: -78.557
bonds (distance) P-C4' energy: -76.500
flat angles C4'-P-C4' energy: -80.710
flat angles P-C4'-P energy: -62.090
tors. eta vs tors. theta energy: -104.330
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: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -934.505550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.505550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.505550 (E_RNA)
where:
Base-Base interactions energy: -622.817
where: short stacking energy: -279.591
Base-Backbone interact. energy: -1.544
local terms energy: -310.144752
where:
bonds (distance) C4'-P energy: -64.540
bonds (distance) P-C4' energy: -60.714
flat angles C4'-P-C4' energy: -74.547
flat angles P-C4'-P energy: -41.456
tors. eta vs tors. theta energy: -68.888
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: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -897.837639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.837639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.837639 (E_RNA)
where:
Base-Base interactions energy: -586.202
where: short stacking energy: -229.897
Base-Backbone interact. energy: -0.838
local terms energy: -310.797280
where:
bonds (distance) C4'-P energy: -75.345
bonds (distance) P-C4' energy: -60.831
flat angles C4'-P-C4' energy: -75.403
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -55.850
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: 189
Temperature: 1.250000
Total energy: -441.274656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.274656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.274656 (E_RNA)
where:
Base-Base interactions energy: -199.492
where: short stacking energy: -133.098
Base-Backbone interact. energy: -1.027
local terms energy: -240.756025
where:
bonds (distance) C4'-P energy: -64.187
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -57.873
flat angles P-C4'-P energy: -35.536
tors. eta vs tors. theta energy: -13.408
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: 189
Temperature: 1.300000
Total energy: -315.891191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.891191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.891191 (E_RNA)
where:
Base-Base interactions energy: -100.480
where: short stacking energy: -89.264
Base-Backbone interact. energy: -1.167
local terms energy: -214.244436
where:
bonds (distance) C4'-P energy: -64.711
bonds (distance) P-C4' energy: -74.184
flat angles C4'-P-C4' energy: -47.132
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: 21.253
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -338.854681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.854681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.854681 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -94.244
Base-Backbone interact. energy: -1.091
local terms energy: -194.590796
where:
bonds (distance) C4'-P energy: -68.853
bonds (distance) P-C4' energy: -71.657
flat angles C4'-P-C4' energy: -42.789
flat angles P-C4'-P energy: -27.817
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: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1414.955814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.955814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.955814 (E_RNA)
where:
Base-Base interactions energy: -986.196
where: short stacking energy: -408.154
Base-Backbone interact. energy: -0.875
local terms energy: -427.885034
where:
bonds (distance) C4'-P energy: -79.687
bonds (distance) P-C4' energy: -76.347
flat angles C4'-P-C4' energy: -92.291
flat angles P-C4'-P energy: -52.815
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1378.555706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.555706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.555706 (E_RNA)
where:
Base-Base interactions energy: -945.974
where: short stacking energy: -390.701
Base-Backbone interact. energy: -1.239
local terms energy: -431.342250
where:
bonds (distance) C4'-P energy: -82.462
bonds (distance) P-C4' energy: -76.496
flat angles C4'-P-C4' energy: -97.453
flat angles P-C4'-P energy: -56.060
tors. eta vs tors. theta energy: -118.870
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: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1188.440617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.440617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.440617 (E_RNA)
where:
Base-Base interactions energy: -817.865
where: short stacking energy: -367.917
Base-Backbone interact. energy: -1.663
local terms energy: -368.912502
where:
bonds (distance) C4'-P energy: -79.877
bonds (distance) P-C4' energy: -76.375
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -46.213
tors. eta vs tors. theta energy: -102.831
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: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1169.997289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.997289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.997289 (E_RNA)
where:
Base-Base interactions energy: -786.219
where: short stacking energy: -325.486
Base-Backbone interact. energy: -4.850
local terms energy: -378.928391
where:
bonds (distance) C4'-P energy: -74.322
bonds (distance) P-C4' energy: -79.062
flat angles C4'-P-C4' energy: -85.109
flat angles P-C4'-P energy: -52.448
tors. eta vs tors. theta energy: -87.987
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: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1145.253314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.253314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.253314 (E_RNA)
where:
Base-Base interactions energy: -755.544
where: short stacking energy: -323.051
Base-Backbone interact. energy: -0.541
local terms energy: -389.167568
where:
bonds (distance) C4'-P energy: -76.739
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -79.432
flat angles P-C4'-P energy: -56.597
tors. eta vs tors. theta energy: -104.204
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: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -948.129096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.129096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.129096 (E_RNA)
where:
Base-Base interactions energy: -632.266
where: short stacking energy: -279.501
Base-Backbone interact. energy: 1.044
local terms energy: -316.907141
where:
bonds (distance) C4'-P energy: -72.433
bonds (distance) P-C4' energy: -69.371
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: -67.944
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: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -869.594911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.594911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.594911 (E_RNA)
where:
Base-Base interactions energy: -571.187
where: short stacking energy: -234.059
Base-Backbone interact. energy: 0.867
local terms energy: -299.274550
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -81.811
flat angles C4'-P-C4' energy: -77.089
flat angles P-C4'-P energy: -37.396
tors. eta vs tors. theta energy: -50.848
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: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -471.296640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.296640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.296640 (E_RNA)
where:
Base-Base interactions energy: -217.286
where: short stacking energy: -135.408
Base-Backbone interact. energy: 3.843
local terms energy: -257.853712
where:
bonds (distance) C4'-P energy: -84.697
bonds (distance) P-C4' energy: -69.347
flat angles C4'-P-C4' energy: -59.788
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -12.286
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: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -369.743715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.743715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.743715 (E_RNA)
where:
Base-Base interactions energy: -140.124
where: short stacking energy: -122.521
Base-Backbone interact. energy: -1.042
local terms energy: -228.577438
where:
bonds (distance) C4'-P energy: -68.707
bonds (distance) P-C4' energy: -71.483
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: 1.200
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: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -342.434360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.434360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.434360 (E_RNA)
where:
Base-Base interactions energy: -112.763
where: short stacking energy: -87.785
Base-Backbone interact. energy: 2.169
local terms energy: -231.840603
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -77.671
flat angles C4'-P-C4' energy: -57.664
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: 14.051
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: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1400.224613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.224613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.224613 (E_RNA)
where:
Base-Base interactions energy: -952.269
where: short stacking energy: -378.054
Base-Backbone interact. energy: -1.469
local terms energy: -446.486375
where:
bonds (distance) C4'-P energy: -85.161
bonds (distance) P-C4' energy: -83.612
flat angles C4'-P-C4' energy: -93.524
flat angles P-C4'-P energy: -62.252
tors. eta vs tors. theta energy: -121.937
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: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1322.607958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.607958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.607958 (E_RNA)
where:
Base-Base interactions energy: -915.832
where: short stacking energy: -388.702
Base-Backbone interact. energy: 0.713
local terms energy: -407.488803
where:
bonds (distance) C4'-P energy: -71.647
bonds (distance) P-C4' energy: -74.466
flat angles C4'-P-C4' energy: -86.670
flat angles P-C4'-P energy: -63.117
tors. eta vs tors. theta energy: -111.589
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: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1193.462702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.462702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.462702 (E_RNA)
where:
Base-Base interactions energy: -800.129
where: short stacking energy: -354.399
Base-Backbone interact. energy: -0.890
local terms energy: -392.443334
where:
bonds (distance) C4'-P energy: -66.451
bonds (distance) P-C4' energy: -79.644
flat angles C4'-P-C4' energy: -82.760
flat angles P-C4'-P energy: -66.309
tors. eta vs tors. theta energy: -97.279
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: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1181.094776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.094776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.094776 (E_RNA)
where:
Base-Base interactions energy: -783.970
where: short stacking energy: -324.286
Base-Backbone interact. energy: 0.887
local terms energy: -398.011152
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -65.813
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: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1123.881395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.881395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.881395 (E_RNA)
where:
Base-Base interactions energy: -743.691
where: short stacking energy: -308.419
Base-Backbone interact. energy: -2.142
local terms energy: -378.048867
where:
bonds (distance) C4'-P energy: -68.952
bonds (distance) P-C4' energy: -77.940
flat angles C4'-P-C4' energy: -78.180
flat angles P-C4'-P energy: -60.511
tors. eta vs tors. theta energy: -92.466
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: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -985.532308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.532308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.532308 (E_RNA)
where:
Base-Base interactions energy: -630.092
where: short stacking energy: -287.787
Base-Backbone interact. energy: -1.372
local terms energy: -354.068667
where:
bonds (distance) C4'-P energy: -69.981
bonds (distance) P-C4' energy: -81.054
flat angles C4'-P-C4' energy: -62.979
flat angles P-C4'-P energy: -54.571
tors. eta vs tors. theta energy: -85.482
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: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -876.230624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.230624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.230624 (E_RNA)
where:
Base-Base interactions energy: -584.006
where: short stacking energy: -252.984
Base-Backbone interact. energy: -2.415
local terms energy: -289.809691
where:
bonds (distance) C4'-P energy: -67.669
bonds (distance) P-C4' energy: -59.999
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -49.768
tors. eta vs tors. theta energy: -44.889
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: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -457.702908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.702908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.702908 (E_RNA)
where:
Base-Base interactions energy: -207.168
where: short stacking energy: -122.594
Base-Backbone interact. energy: 3.060
local terms energy: -253.595664
where:
bonds (distance) C4'-P energy: -72.512
bonds (distance) P-C4' energy: -70.278
flat angles C4'-P-C4' energy: -58.793
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -12.455
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: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -441.145683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.145683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.145683 (E_RNA)
where:
Base-Base interactions energy: -189.522
where: short stacking energy: -109.572
Base-Backbone interact. energy: -2.036
local terms energy: -249.587473
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -70.762
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -6.881
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: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -321.746310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.746310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.746310 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -92.235
Base-Backbone interact. energy: -2.481
local terms energy: -198.218260
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -67.376
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: 21.381
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: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1384.030583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.030583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.030583 (E_RNA)
where:
Base-Base interactions energy: -965.518
where: short stacking energy: -390.133
Base-Backbone interact. energy: -2.197
local terms energy: -416.315632
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -77.703
flat angles C4'-P-C4' energy: -86.735
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: -120.996
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: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1346.812777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.812777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.812777 (E_RNA)
where:
Base-Base interactions energy: -947.129
where: short stacking energy: -389.350
Base-Backbone interact. energy: 1.979
local terms energy: -401.662806
where:
bonds (distance) C4'-P energy: -68.335
bonds (distance) P-C4' energy: -77.943
flat angles C4'-P-C4' energy: -85.634
flat angles P-C4'-P energy: -62.112
tors. eta vs tors. theta energy: -107.639
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: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1209.475843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.475843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.475843 (E_RNA)
where:
Base-Base interactions energy: -800.448
where: short stacking energy: -374.075
Base-Backbone interact. energy: -1.371
local terms energy: -407.656942
where:
bonds (distance) C4'-P energy: -85.174
bonds (distance) P-C4' energy: -80.121
flat angles C4'-P-C4' energy: -81.417
flat angles P-C4'-P energy: -50.907
tors. eta vs tors. theta energy: -110.037
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1163.725828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.725828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.725828 (E_RNA)
where:
Base-Base interactions energy: -786.145
where: short stacking energy: -339.882
Base-Backbone interact. energy: 1.263
local terms energy: -378.843991
where:
bonds (distance) C4'-P energy: -90.962
bonds (distance) P-C4' energy: -76.970
flat angles C4'-P-C4' energy: -76.059
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -97.406
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: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1134.012803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.012803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.012803 (E_RNA)
where:
Base-Base interactions energy: -771.271
where: short stacking energy: -314.319
Base-Backbone interact. energy: -0.473
local terms energy: -362.269243
where:
bonds (distance) C4'-P energy: -77.767
bonds (distance) P-C4' energy: -66.361
flat angles C4'-P-C4' energy: -73.339
flat angles P-C4'-P energy: -46.355
tors. eta vs tors. theta energy: -98.448
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: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -972.005516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.005516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.005516 (E_RNA)
where:
Base-Base interactions energy: -628.673
where: short stacking energy: -272.455
Base-Backbone interact. energy: -2.919
local terms energy: -340.413535
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -77.184
flat angles C4'-P-C4' energy: -70.054
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: -69.712
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: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -880.730018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.730018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.730018 (E_RNA)
where:
Base-Base interactions energy: -575.022
where: short stacking energy: -236.352
Base-Backbone interact. energy: -2.317
local terms energy: -303.390594
where:
bonds (distance) C4'-P energy: -63.274
bonds (distance) P-C4' energy: -69.352
flat angles C4'-P-C4' energy: -64.400
flat angles P-C4'-P energy: -47.102
tors. eta vs tors. theta energy: -59.262
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: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -436.543421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.543421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.543421 (E_RNA)
where:
Base-Base interactions energy: -193.740
where: short stacking energy: -115.606
Base-Backbone interact. energy: 7.764
local terms energy: -250.566930
where:
bonds (distance) C4'-P energy: -58.412
bonds (distance) P-C4' energy: -81.328
flat angles C4'-P-C4' energy: -63.184
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -12.767
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: 192
Temperature: 1.300000
Total energy: -319.017174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.017174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.017174 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -94.169
Base-Backbone interact. energy: 4.811
local terms energy: -204.271891
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -59.482
flat angles C4'-P-C4' energy: -57.989
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: 13.865
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: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -312.810066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.810066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.810066 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -88.952
Base-Backbone interact. energy: -1.950
local terms energy: -185.208163
where:
bonds (distance) C4'-P energy: -53.265
bonds (distance) P-C4' energy: -77.383
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: 9.124
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: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1420.718654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.718654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.718654 (E_RNA)
where:
Base-Base interactions energy: -975.627
where: short stacking energy: -390.527
Base-Backbone interact. energy: -3.224
local terms energy: -441.867507
where:
bonds (distance) C4'-P energy: -77.615
bonds (distance) P-C4' energy: -83.696
flat angles C4'-P-C4' energy: -94.854
flat angles P-C4'-P energy: -61.883
tors. eta vs tors. theta energy: -123.820
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: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1342.247136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.247136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.247136 (E_RNA)
where:
Base-Base interactions energy: -929.648
where: short stacking energy: -374.520
Base-Backbone interact. energy: -2.156
local terms energy: -410.443245
where:
bonds (distance) C4'-P energy: -80.985
bonds (distance) P-C4' energy: -82.201
flat angles C4'-P-C4' energy: -87.144
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -111.983
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: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1211.178902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.178902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.178902 (E_RNA)
where:
Base-Base interactions energy: -801.597
where: short stacking energy: -351.763
Base-Backbone interact. energy: -1.249
local terms energy: -408.332587
where:
bonds (distance) C4'-P energy: -79.040
bonds (distance) P-C4' energy: -74.014
flat angles C4'-P-C4' energy: -86.796
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -114.590
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: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1144.254337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.254337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.254337 (E_RNA)
where:
Base-Base interactions energy: -761.190
where: short stacking energy: -305.720
Base-Backbone interact. energy: 0.343
local terms energy: -383.407280
where:
bonds (distance) C4'-P energy: -73.060
bonds (distance) P-C4' energy: -81.495
flat angles C4'-P-C4' energy: -81.382
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: -89.833
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: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1137.334140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.334140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.334140 (E_RNA)
where:
Base-Base interactions energy: -743.459
where: short stacking energy: -328.040
Base-Backbone interact. energy: 2.297
local terms energy: -396.171655
where:
bonds (distance) C4'-P energy: -69.866
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -87.560
flat angles P-C4'-P energy: -58.923
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: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1015.479971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.479971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.479971 (E_RNA)
where:
Base-Base interactions energy: -653.699
where: short stacking energy: -297.208
Base-Backbone interact. energy: 0.112
local terms energy: -361.892568
where:
bonds (distance) C4'-P energy: -78.613
bonds (distance) P-C4' energy: -76.384
flat angles C4'-P-C4' energy: -83.019
flat angles P-C4'-P energy: -51.149
tors. eta vs tors. theta energy: -72.728
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: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -847.333196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.333196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.333196 (E_RNA)
where:
Base-Base interactions energy: -569.428
where: short stacking energy: -254.849
Base-Backbone interact. energy: 0.817
local terms energy: -278.722864
where:
bonds (distance) C4'-P energy: -53.024
bonds (distance) P-C4' energy: -62.560
flat angles C4'-P-C4' energy: -72.723
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -43.875
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: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -390.221678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.221678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.221678 (E_RNA)
where:
Base-Base interactions energy: -157.109
where: short stacking energy: -90.995
Base-Backbone interact. energy: -2.826
local terms energy: -230.287344
where:
bonds (distance) C4'-P energy: -63.578
bonds (distance) P-C4' energy: -72.718
flat angles C4'-P-C4' energy: -64.790
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: 4.957
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: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -330.589003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.589003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.589003 (E_RNA)
where:
Base-Base interactions energy: -125.638
where: short stacking energy: -84.762
Base-Backbone interact. energy: 6.385
local terms energy: -211.336370
where:
bonds (distance) C4'-P energy: -58.531
bonds (distance) P-C4' energy: -68.659
flat angles C4'-P-C4' energy: -57.158
flat angles P-C4'-P energy: -38.950
tors. eta vs tors. theta energy: 11.961
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: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -312.784243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.784243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.784243 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -94.967
Base-Backbone interact. energy: -0.939
local terms energy: -193.014653
where:
bonds (distance) C4'-P energy: -61.964
bonds (distance) P-C4' energy: -74.381
flat angles C4'-P-C4' energy: -44.070
flat angles P-C4'-P energy: -27.332
tors. eta vs tors. theta energy: 14.732
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: 194
Temperature: 0.900000
Total energy: -1408.188279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.188279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.188279 (E_RNA)
where:
Base-Base interactions energy: -987.297
where: short stacking energy: -401.721
Base-Backbone interact. energy: -2.778
local terms energy: -418.113505
where:
bonds (distance) C4'-P energy: -82.567
bonds (distance) P-C4' energy: -68.581
flat angles C4'-P-C4' energy: -81.409
flat angles P-C4'-P energy: -61.093
tors. eta vs tors. theta energy: -124.464
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: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1359.631749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.631749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.631749 (E_RNA)
where:
Base-Base interactions energy: -932.634
where: short stacking energy: -394.881
Base-Backbone interact. energy: 0.176
local terms energy: -427.173656
where:
bonds (distance) C4'-P energy: -78.768
bonds (distance) P-C4' energy: -67.720
flat angles C4'-P-C4' energy: -95.276
flat angles P-C4'-P energy: -70.200
tors. eta vs tors. theta energy: -115.209
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: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1212.117309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.117309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.117309 (E_RNA)
where:
Base-Base interactions energy: -812.579
where: short stacking energy: -356.694
Base-Backbone interact. energy: -0.962
local terms energy: -398.576669
where:
bonds (distance) C4'-P energy: -67.053
bonds (distance) P-C4' energy: -90.538
flat angles C4'-P-C4' energy: -90.869
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -109.429
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1178.373832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.373832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.373832 (E_RNA)
where:
Base-Base interactions energy: -802.885
where: short stacking energy: -325.690
Base-Backbone interact. energy: -2.296
local terms energy: -373.192983
where:
bonds (distance) C4'-P energy: -72.902
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -82.884
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -96.174
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: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -994.903964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.903964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.903964 (E_RNA)
where:
Base-Base interactions energy: -642.737
where: short stacking energy: -289.921
Base-Backbone interact. energy: -0.410
local terms energy: -351.756668
where:
bonds (distance) C4'-P energy: -69.883
bonds (distance) P-C4' energy: -78.655
flat angles C4'-P-C4' energy: -76.163
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -80.101
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: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1116.625862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.625862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.625862 (E_RNA)
where:
Base-Base interactions energy: -774.618
where: short stacking energy: -325.689
Base-Backbone interact. energy: -0.650
local terms energy: -341.358052
where:
bonds (distance) C4'-P energy: -60.519
bonds (distance) P-C4' energy: -67.453
flat angles C4'-P-C4' energy: -85.702
flat angles P-C4'-P energy: -38.219
tors. eta vs tors. theta energy: -89.465
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: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -796.891901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.891901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.891901 (E_RNA)
where:
Base-Base interactions energy: -497.302
where: short stacking energy: -213.008
Base-Backbone interact. energy: 2.930
local terms energy: -302.519905
where:
bonds (distance) C4'-P energy: -70.473
bonds (distance) P-C4' energy: -69.957
flat angles C4'-P-C4' energy: -66.606
flat angles P-C4'-P energy: -52.130
tors. eta vs tors. theta energy: -43.355
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: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -420.503267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.503267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.503267 (E_RNA)
where:
Base-Base interactions energy: -182.690
where: short stacking energy: -101.268
Base-Backbone interact. energy: 0.145
local terms energy: -237.958989
where:
bonds (distance) C4'-P energy: -63.086
bonds (distance) P-C4' energy: -78.496
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -54.045
tors. eta vs tors. theta energy: 8.999
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: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -396.065032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.065032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.065032 (E_RNA)
where:
Base-Base interactions energy: -180.905
where: short stacking energy: -108.325
Base-Backbone interact. energy: -3.714
local terms energy: -211.446053
where:
bonds (distance) C4'-P energy: -60.312
bonds (distance) P-C4' energy: -67.395
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -43.770
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: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -311.181671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.181671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.181671 (E_RNA)
where:
Base-Base interactions energy: -88.947
where: short stacking energy: -72.550
Base-Backbone interact. energy: -1.739
local terms energy: -220.495569
where:
bonds (distance) C4'-P energy: -73.873
bonds (distance) P-C4' energy: -74.729
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: 19.034
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: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1395.994421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.994421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.994421 (E_RNA)
where:
Base-Base interactions energy: -964.025
where: short stacking energy: -387.172
Base-Backbone interact. energy: -1.125
local terms energy: -430.845096
where:
bonds (distance) C4'-P energy: -85.753
bonds (distance) P-C4' energy: -73.055
flat angles C4'-P-C4' energy: -101.268
flat angles P-C4'-P energy: -59.264
tors. eta vs tors. theta energy: -111.505
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: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1309.879317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.879317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.879317 (E_RNA)
where:
Base-Base interactions energy: -904.890
where: short stacking energy: -373.984
Base-Backbone interact. energy: -1.602
local terms energy: -403.387885
where:
bonds (distance) C4'-P energy: -75.141
bonds (distance) P-C4' energy: -82.266
flat angles C4'-P-C4' energy: -86.055
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -102.002
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: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1225.123245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.123245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.123245 (E_RNA)
where:
Base-Base interactions energy: -817.552
where: short stacking energy: -354.634
Base-Backbone interact. energy: -0.844
local terms energy: -406.726751
where:
bonds (distance) C4'-P energy: -69.820
bonds (distance) P-C4' energy: -67.065
flat angles C4'-P-C4' energy: -88.556
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: -113.495
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: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1203.389075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.389075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.389075 (E_RNA)
where:
Base-Base interactions energy: -821.656
where: short stacking energy: -354.417
Base-Backbone interact. energy: -0.679
local terms energy: -381.054734
where:
bonds (distance) C4'-P energy: -81.228
bonds (distance) P-C4' energy: -74.433
flat angles C4'-P-C4' energy: -76.698
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -100.660
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: 195
Temperature: 1.100000
Total energy: -997.027635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.027635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.027635 (E_RNA)
where:
Base-Base interactions energy: -634.181
where: short stacking energy: -278.102
Base-Backbone interact. energy: -1.051
local terms energy: -361.795895
where:
bonds (distance) C4'-P energy: -86.914
bonds (distance) P-C4' energy: -63.523
flat angles C4'-P-C4' energy: -74.145
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -85.883
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: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1137.612852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.612852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.612852 (E_RNA)
where:
Base-Base interactions energy: -787.801
where: short stacking energy: -329.214
Base-Backbone interact. energy: -2.554
local terms energy: -347.258165
where:
bonds (distance) C4'-P energy: -55.180
bonds (distance) P-C4' energy: -79.623
flat angles C4'-P-C4' energy: -73.953
flat angles P-C4'-P energy: -48.192
tors. eta vs tors. theta energy: -90.310
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: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -864.325977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.325977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.325977 (E_RNA)
where:
Base-Base interactions energy: -557.586
where: short stacking energy: -245.951
Base-Backbone interact. energy: 3.973
local terms energy: -310.712991
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -78.067
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -60.639
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: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -453.648151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.648151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.648151 (E_RNA)
where:
Base-Base interactions energy: -220.688
where: short stacking energy: -123.594
Base-Backbone interact. energy: 2.314
local terms energy: -235.274180
where:
bonds (distance) C4'-P energy: -71.299
bonds (distance) P-C4' energy: -49.083
flat angles C4'-P-C4' energy: -78.379
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -8.391
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -398.476418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.476418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.476418 (E_RNA)
where:
Base-Base interactions energy: -185.171
where: short stacking energy: -113.432
Base-Backbone interact. energy: -2.017
local terms energy: -211.288519
where:
bonds (distance) C4'-P energy: -72.437
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: 6.329
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: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -344.549378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.549378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.549378 (E_RNA)
where:
Base-Base interactions energy: -105.905
where: short stacking energy: -86.964
Base-Backbone interact. energy: 1.187
local terms energy: -239.831418
where:
bonds (distance) C4'-P energy: -69.189
bonds (distance) P-C4' energy: -74.288
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -38.493
tors. eta vs tors. theta energy: -0.856
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: 196
Temperature: 0.900000
Total energy: -1402.497551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.497551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.497551 (E_RNA)
where:
Base-Base interactions energy: -969.724
where: short stacking energy: -378.603
Base-Backbone interact. energy: -2.854
local terms energy: -429.919649
where:
bonds (distance) C4'-P energy: -70.854
bonds (distance) P-C4' energy: -85.752
flat angles C4'-P-C4' energy: -92.709
flat angles P-C4'-P energy: -64.244
tors. eta vs tors. theta energy: -116.361
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: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1312.254053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.254053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.254053 (E_RNA)
where:
Base-Base interactions energy: -908.821
where: short stacking energy: -365.541
Base-Backbone interact. energy: -1.557
local terms energy: -401.876182
where:
bonds (distance) C4'-P energy: -77.595
bonds (distance) P-C4' energy: -71.323
flat angles C4'-P-C4' energy: -81.385
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -101.459
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: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1233.454255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.454255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.454255 (E_RNA)
where:
Base-Base interactions energy: -828.495
where: short stacking energy: -363.500
Base-Backbone interact. energy: -1.651
local terms energy: -403.308166
where:
bonds (distance) C4'-P energy: -75.277
bonds (distance) P-C4' energy: -72.051
flat angles C4'-P-C4' energy: -89.271
flat angles P-C4'-P energy: -55.512
tors. eta vs tors. theta energy: -111.198
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1225.284371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.284371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.284371 (E_RNA)
where:
Base-Base interactions energy: -821.439
where: short stacking energy: -366.042
Base-Backbone interact. energy: -1.402
local terms energy: -402.443965
where:
bonds (distance) C4'-P energy: -74.608
bonds (distance) P-C4' energy: -78.033
flat angles C4'-P-C4' energy: -78.115
flat angles P-C4'-P energy: -62.796
tors. eta vs tors. theta energy: -108.892
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: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1171.370998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.370998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.370998 (E_RNA)
where:
Base-Base interactions energy: -784.493
where: short stacking energy: -307.724
Base-Backbone interact. energy: -2.331
local terms energy: -384.547191
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -79.491
flat angles C4'-P-C4' energy: -83.025
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -95.442
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: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -958.760452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.760452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.760452 (E_RNA)
where:
Base-Base interactions energy: -634.083
where: short stacking energy: -266.553
Base-Backbone interact. energy: -1.528
local terms energy: -323.149483
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -72.155
flat angles C4'-P-C4' energy: -74.349
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -69.898
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: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -826.154941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.154941 (E_RNA)
where:
Base-Base interactions energy: -548.907
where: short stacking energy: -238.092
Base-Backbone interact. energy: -2.309
local terms energy: -274.938829
where:
bonds (distance) C4'-P energy: -58.818
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -69.361
flat angles P-C4'-P energy: -37.666
tors. eta vs tors. theta energy: -48.675
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: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -519.969765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.969765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.969765 (E_RNA)
where:
Base-Base interactions energy: -290.128
where: short stacking energy: -133.877
Base-Backbone interact. energy: -0.332
local terms energy: -229.510397
where:
bonds (distance) C4'-P energy: -64.188
bonds (distance) P-C4' energy: -67.516
flat angles C4'-P-C4' energy: -60.955
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -0.036
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: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -372.107555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.107555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.107555 (E_RNA)
where:
Base-Base interactions energy: -147.085
where: short stacking energy: -88.273
Base-Backbone interact. energy: 3.698
local terms energy: -228.720202
where:
bonds (distance) C4'-P energy: -60.344
bonds (distance) P-C4' energy: -79.068
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: 4.539
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: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -302.640402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.640402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.640402 (E_RNA)
where:
Base-Base interactions energy: -99.849
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.846
local terms energy: -201.945294
where:
bonds (distance) C4'-P energy: -68.545
bonds (distance) P-C4' energy: -59.947
flat angles C4'-P-C4' energy: -45.435
flat angles P-C4'-P energy: -50.109
tors. eta vs tors. theta energy: 22.092
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: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1431.289943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.289943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.289943 (E_RNA)
where:
Base-Base interactions energy: -986.357
where: short stacking energy: -410.910
Base-Backbone interact. energy: -2.966
local terms energy: -441.966697
where:
bonds (distance) C4'-P energy: -83.042
bonds (distance) P-C4' energy: -77.356
flat angles C4'-P-C4' energy: -96.485
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -119.854
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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1331.608083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.608083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.608083 (E_RNA)
where:
Base-Base interactions energy: -903.897
where: short stacking energy: -383.067
Base-Backbone interact. energy: -0.504
local terms energy: -427.206501
where:
bonds (distance) C4'-P energy: -75.227
bonds (distance) P-C4' energy: -84.976
flat angles C4'-P-C4' energy: -82.454
flat angles P-C4'-P energy: -70.661
tors. eta vs tors. theta energy: -113.888
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: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1221.540751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.540751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.540751 (E_RNA)
where:
Base-Base interactions energy: -805.810
where: short stacking energy: -369.673
Base-Backbone interact. energy: -1.645
local terms energy: -414.086136
where:
bonds (distance) C4'-P energy: -83.873
bonds (distance) P-C4' energy: -74.111
flat angles C4'-P-C4' energy: -87.605
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -108.289
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: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1225.013730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.013730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.013730 (E_RNA)
where:
Base-Base interactions energy: -827.922
where: short stacking energy: -350.495
Base-Backbone interact. energy: -0.138
local terms energy: -396.953478
where:
bonds (distance) C4'-P energy: -71.103
bonds (distance) P-C4' energy: -81.050
flat angles C4'-P-C4' energy: -88.881
flat angles P-C4'-P energy: -49.895
tors. eta vs tors. theta energy: -106.026
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: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1199.719476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.719476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.719476 (E_RNA)
where:
Base-Base interactions energy: -796.996
where: short stacking energy: -353.788
Base-Backbone interact. energy: -2.386
local terms energy: -400.337582
where:
bonds (distance) C4'-P energy: -78.172
bonds (distance) P-C4' energy: -81.624
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -111.440
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -968.089146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.089146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.089146 (E_RNA)
where:
Base-Base interactions energy: -617.647
where: short stacking energy: -279.077
Base-Backbone interact. energy: -0.922
local terms energy: -349.520899
where:
bonds (distance) C4'-P energy: -69.481
bonds (distance) P-C4' energy: -79.863
flat angles C4'-P-C4' energy: -75.011
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -73.485
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: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -849.196008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.196008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.196008 (E_RNA)
where:
Base-Base interactions energy: -533.976
where: short stacking energy: -241.882
Base-Backbone interact. energy: -1.028
local terms energy: -314.191332
where:
bonds (distance) C4'-P energy: -70.451
bonds (distance) P-C4' energy: -68.832
flat angles C4'-P-C4' energy: -72.345
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -66.056
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: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -489.563598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.563598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.563598 (E_RNA)
where:
Base-Base interactions energy: -250.385
where: short stacking energy: -143.055
Base-Backbone interact. energy: -0.386
local terms energy: -238.793080
where:
bonds (distance) C4'-P energy: -67.625
bonds (distance) P-C4' energy: -67.864
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -9.807
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: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -438.965960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.965960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.965960 (E_RNA)
where:
Base-Base interactions energy: -191.907
where: short stacking energy: -126.377
Base-Backbone interact. energy: 0.080
local terms energy: -247.139497
where:
bonds (distance) C4'-P energy: -63.026
bonds (distance) P-C4' energy: -72.310
flat angles C4'-P-C4' energy: -63.590
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -15.502
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: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -324.215992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.215992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.215992 (E_RNA)
where:
Base-Base interactions energy: -112.027
where: short stacking energy: -79.289
Base-Backbone interact. energy: 1.887
local terms energy: -214.075998
where:
bonds (distance) C4'-P energy: -64.318
bonds (distance) P-C4' energy: -80.347
flat angles C4'-P-C4' energy: -53.428
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: 18.760
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: 198
Temperature: 0.900000
Total energy: -1407.473047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.473047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.473047 (E_RNA)
where:
Base-Base interactions energy: -968.673
where: short stacking energy: -388.578
Base-Backbone interact. energy: -2.523
local terms energy: -436.277118
where:
bonds (distance) C4'-P energy: -78.115
bonds (distance) P-C4' energy: -79.682
flat angles C4'-P-C4' energy: -88.116
flat angles P-C4'-P energy: -72.457
tors. eta vs tors. theta energy: -117.907
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: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1352.461691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.461691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.461691 (E_RNA)
where:
Base-Base interactions energy: -940.879
where: short stacking energy: -387.816
Base-Backbone interact. energy: 1.118
local terms energy: -412.700198
where:
bonds (distance) C4'-P energy: -77.573
bonds (distance) P-C4' energy: -76.743
flat angles C4'-P-C4' energy: -87.233
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -120.205
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1201.556709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.556709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.556709 (E_RNA)
where:
Base-Base interactions energy: -802.698
where: short stacking energy: -372.622
Base-Backbone interact. energy: -0.583
local terms energy: -398.275924
where:
bonds (distance) C4'-P energy: -77.276
bonds (distance) P-C4' energy: -76.229
flat angles C4'-P-C4' energy: -83.463
flat angles P-C4'-P energy: -54.077
tors. eta vs tors. theta energy: -107.231
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: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1190.392427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.392427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.392427 (E_RNA)
where:
Base-Base interactions energy: -799.059
where: short stacking energy: -346.856
Base-Backbone interact. energy: -0.800
local terms energy: -390.533203
where:
bonds (distance) C4'-P energy: -68.193
bonds (distance) P-C4' energy: -73.119
flat angles C4'-P-C4' energy: -83.908
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -109.412
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: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1176.793730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.793730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.793730 (E_RNA)
where:
Base-Base interactions energy: -800.803
where: short stacking energy: -326.144
Base-Backbone interact. energy: -1.290
local terms energy: -374.701020
where:
bonds (distance) C4'-P energy: -77.580
bonds (distance) P-C4' energy: -78.128
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -45.354
tors. eta vs tors. theta energy: -98.326
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: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -983.782678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.782678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.782678 (E_RNA)
where:
Base-Base interactions energy: -650.600
where: short stacking energy: -264.437
Base-Backbone interact. energy: -0.783
local terms energy: -332.399431
where:
bonds (distance) C4'-P energy: -70.483
bonds (distance) P-C4' energy: -60.281
flat angles C4'-P-C4' energy: -72.727
flat angles P-C4'-P energy: -59.235
tors. eta vs tors. theta energy: -69.673
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: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -855.618808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.618808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.618808 (E_RNA)
where:
Base-Base interactions energy: -543.153
where: short stacking energy: -222.211
Base-Backbone interact. energy: 1.253
local terms energy: -313.719278
where:
bonds (distance) C4'-P energy: -77.308
bonds (distance) P-C4' energy: -65.831
flat angles C4'-P-C4' energy: -71.779
flat angles P-C4'-P energy: -44.397
tors. eta vs tors. theta energy: -54.404
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: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -457.171719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.171719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.171719 (E_RNA)
where:
Base-Base interactions energy: -239.484
where: short stacking energy: -129.007
Base-Backbone interact. energy: 1.354
local terms energy: -219.041251
where:
bonds (distance) C4'-P energy: -68.167
bonds (distance) P-C4' energy: -67.849
flat angles C4'-P-C4' energy: -49.032
flat angles P-C4'-P energy: -36.545
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: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -444.982908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.982908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.982908 (E_RNA)
where:
Base-Base interactions energy: -206.905
where: short stacking energy: -118.266
Base-Backbone interact. energy: 4.085
local terms energy: -242.162670
where:
bonds (distance) C4'-P energy: -73.478
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -53.168
flat angles P-C4'-P energy: -43.891
tors. eta vs tors. theta energy: -5.003
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: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -298.394176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.394176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.394176 (E_RNA)
where:
Base-Base interactions energy: -117.689
where: short stacking energy: -89.245
Base-Backbone interact. energy: -0.804
local terms energy: -179.900649
where:
bonds (distance) C4'-P energy: -52.426
bonds (distance) P-C4' energy: -54.699
flat angles C4'-P-C4' energy: -51.502
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: 12.668
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: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1424.781094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.781094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.781094 (E_RNA)
where:
Base-Base interactions energy: -995.589
where: short stacking energy: -400.003
Base-Backbone interact. energy: -3.759
local terms energy: -425.432757
where:
bonds (distance) C4'-P energy: -65.713
bonds (distance) P-C4' energy: -80.224
flat angles C4'-P-C4' energy: -91.791
flat angles P-C4'-P energy: -60.070
tors. eta vs tors. theta energy: -127.634
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: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1345.754496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.754496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.754496 (E_RNA)
where:
Base-Base interactions energy: -923.757
where: short stacking energy: -389.778
Base-Backbone interact. energy: -2.155
local terms energy: -419.842489
where:
bonds (distance) C4'-P energy: -74.929
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -90.970
flat angles P-C4'-P energy: -62.312
tors. eta vs tors. theta energy: -111.276
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: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1206.776190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.776190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.776190 (E_RNA)
where:
Base-Base interactions energy: -780.734
where: short stacking energy: -343.100
Base-Backbone interact. energy: -0.606
local terms energy: -425.436379
where:
bonds (distance) C4'-P energy: -82.939
bonds (distance) P-C4' energy: -88.580
flat angles C4'-P-C4' energy: -78.050
flat angles P-C4'-P energy: -61.143
tors. eta vs tors. theta energy: -114.725
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: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1188.967514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.967514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.967514 (E_RNA)
where:
Base-Base interactions energy: -807.257
where: short stacking energy: -336.488
Base-Backbone interact. energy: -1.568
local terms energy: -380.142302
where:
bonds (distance) C4'-P energy: -71.902
bonds (distance) P-C4' energy: -75.819
flat angles C4'-P-C4' energy: -87.383
flat angles P-C4'-P energy: -51.437
tors. eta vs tors. theta energy: -93.602
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: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1193.616837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.616837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.616837 (E_RNA)
where:
Base-Base interactions energy: -807.491
where: short stacking energy: -344.023
Base-Backbone interact. energy: -1.139
local terms energy: -384.986993
where:
bonds (distance) C4'-P energy: -57.298
bonds (distance) P-C4' energy: -73.239
flat angles C4'-P-C4' energy: -88.461
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -105.082
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: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1002.230445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.230445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.230445 (E_RNA)
where:
Base-Base interactions energy: -666.278
where: short stacking energy: -267.790
Base-Backbone interact. energy: -0.568
local terms energy: -335.384263
where:
bonds (distance) C4'-P energy: -75.084
bonds (distance) P-C4' energy: -59.753
flat angles C4'-P-C4' energy: -81.758
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -81.457
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: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -837.659727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.659727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.659727 (E_RNA)
where:
Base-Base interactions energy: -541.643
where: short stacking energy: -218.214
Base-Backbone interact. energy: -0.751
local terms energy: -295.265465
where:
bonds (distance) C4'-P energy: -70.579
bonds (distance) P-C4' energy: -63.291
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -58.792
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: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -499.047331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.047331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.047331 (E_RNA)
where:
Base-Base interactions energy: -250.776
where: short stacking energy: -147.066
Base-Backbone interact. energy: -1.082
local terms energy: -247.189849
where:
bonds (distance) C4'-P energy: -65.143
bonds (distance) P-C4' energy: -68.194
flat angles C4'-P-C4' energy: -48.591
flat angles P-C4'-P energy: -51.385
tors. eta vs tors. theta energy: -13.877
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: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -423.328779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.328779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.328779 (E_RNA)
where:
Base-Base interactions energy: -211.539
where: short stacking energy: -136.170
Base-Backbone interact. energy: -2.116
local terms energy: -209.673146
where:
bonds (distance) C4'-P energy: -55.589
bonds (distance) P-C4' energy: -66.703
flat angles C4'-P-C4' energy: -47.535
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -4.802
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: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -321.385077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.385077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.385077 (E_RNA)
where:
Base-Base interactions energy: -105.150
where: short stacking energy: -79.471
Base-Backbone interact. energy: 0.882
local terms energy: -217.116825
where:
bonds (distance) C4'-P energy: -54.085
bonds (distance) P-C4' energy: -75.187
flat angles C4'-P-C4' energy: -60.205
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: 11.444
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: 200
Temperature: 0.900000
Total energy: -1408.794431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.794431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.794431 (E_RNA)
where:
Base-Base interactions energy: -975.899
where: short stacking energy: -394.496
Base-Backbone interact. energy: -0.378
local terms energy: -432.518110
where:
bonds (distance) C4'-P energy: -82.991
bonds (distance) P-C4' energy: -81.647
flat angles C4'-P-C4' energy: -82.530
flat angles P-C4'-P energy: -67.589
tors. eta vs tors. theta energy: -117.760
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: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1362.095144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.095144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.095144 (E_RNA)
where:
Base-Base interactions energy: -937.632
where: short stacking energy: -374.718
Base-Backbone interact. energy: -4.489
local terms energy: -419.974627
where:
bonds (distance) C4'-P energy: -74.581
bonds (distance) P-C4' energy: -75.688
flat angles C4'-P-C4' energy: -89.280
flat angles P-C4'-P energy: -62.329
tors. eta vs tors. theta energy: -118.097
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: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1268.738573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.738573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.738573 (E_RNA)
where:
Base-Base interactions energy: -862.171
where: short stacking energy: -344.109
Base-Backbone interact. energy: -1.240
local terms energy: -405.327754
where:
bonds (distance) C4'-P energy: -78.772
bonds (distance) P-C4' energy: -69.782
flat angles C4'-P-C4' energy: -96.428
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -106.276
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1187.097766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.097766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.097766 (E_RNA)
where:
Base-Base interactions energy: -779.950
where: short stacking energy: -348.201
Base-Backbone interact. energy: -0.639
local terms energy: -406.509427
where:
bonds (distance) C4'-P energy: -81.235
bonds (distance) P-C4' energy: -72.989
flat angles C4'-P-C4' energy: -88.519
flat angles P-C4'-P energy: -57.234
tors. eta vs tors. theta energy: -106.533
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: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1212.256357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.256357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.256357 (E_RNA)
where:
Base-Base interactions energy: -803.805
where: short stacking energy: -338.334
Base-Backbone interact. energy: 3.444
local terms energy: -411.895384
where:
bonds (distance) C4'-P energy: -76.318
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -85.537
flat angles P-C4'-P energy: -59.425
tors. eta vs tors. theta energy: -111.306
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: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1036.243633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.243633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.243633 (E_RNA)
where:
Base-Base interactions energy: -679.091
where: short stacking energy: -277.299
Base-Backbone interact. energy: -1.006
local terms energy: -356.146930
where:
bonds (distance) C4'-P energy: -76.859
bonds (distance) P-C4' energy: -70.298
flat angles C4'-P-C4' energy: -78.680
flat angles P-C4'-P energy: -51.998
tors. eta vs tors. theta energy: -78.312
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: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -836.317288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.317288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.317288 (E_RNA)
where:
Base-Base interactions energy: -563.484
where: short stacking energy: -251.767
Base-Backbone interact. energy: -1.010
local terms energy: -271.823108
where:
bonds (distance) C4'-P energy: -56.069
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -58.216
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -60.162
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: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -456.373618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.373618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.373618 (E_RNA)
where:
Base-Base interactions energy: -217.811
where: short stacking energy: -131.565
Base-Backbone interact. energy: 1.012
local terms energy: -239.575248
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -68.609
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -8.736
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: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -370.147556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.147556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.147556 (E_RNA)
where:
Base-Base interactions energy: -123.552
where: short stacking energy: -114.357
Base-Backbone interact. energy: -0.457
local terms energy: -246.139148
where:
bonds (distance) C4'-P energy: -60.911
bonds (distance) P-C4' energy: -73.728
flat angles C4'-P-C4' energy: -61.136
flat angles P-C4'-P energy: -34.745
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -373.629970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.629970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.629970 (E_RNA)
where:
Base-Base interactions energy: -151.417
where: short stacking energy: -90.238
Base-Backbone interact. energy: 3.554
local terms energy: -225.767231
where:
bonds (distance) C4'-P energy: -79.983
bonds (distance) P-C4' energy: -74.781
flat angles C4'-P-C4' energy: -52.030
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: 1.376
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: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1430.637746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.637746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.637746 (E_RNA)
where:
Base-Base interactions energy: -972.017
where: short stacking energy: -394.920
Base-Backbone interact. energy: -1.591
local terms energy: -457.029358
where:
bonds (distance) C4'-P energy: -84.888
bonds (distance) P-C4' energy: -83.301
flat angles C4'-P-C4' energy: -92.680
flat angles P-C4'-P energy: -72.766
tors. eta vs tors. theta energy: -123.393
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: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1350.525800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.525800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.525800 (E_RNA)
where:
Base-Base interactions energy: -946.888
where: short stacking energy: -388.488
Base-Backbone interact. energy: -3.763
local terms energy: -399.874872
where:
bonds (distance) C4'-P energy: -65.244
bonds (distance) P-C4' energy: -68.843
flat angles C4'-P-C4' energy: -88.294
flat angles P-C4'-P energy: -66.885
tors. eta vs tors. theta energy: -110.609
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: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1283.748316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.748316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.748316 (E_RNA)
where:
Base-Base interactions energy: -881.015
where: short stacking energy: -366.506
Base-Backbone interact. energy: -1.353
local terms energy: -401.380363
where:
bonds (distance) C4'-P energy: -70.652
bonds (distance) P-C4' energy: -78.520
flat angles C4'-P-C4' energy: -77.257
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -109.493
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: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1222.482262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.482262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.482262 (E_RNA)
where:
Base-Base interactions energy: -827.237
where: short stacking energy: -344.234
Base-Backbone interact. energy: 0.187
local terms energy: -395.432283
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -82.810
flat angles C4'-P-C4' energy: -85.649
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: -114.053
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: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1138.558466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.558466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.558466 (E_RNA)
where:
Base-Base interactions energy: -762.354
where: short stacking energy: -336.868
Base-Backbone interact. energy: -0.716
local terms energy: -375.488155
where:
bonds (distance) C4'-P energy: -63.796
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -80.302
flat angles P-C4'-P energy: -54.942
tors. eta vs tors. theta energy: -105.912
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: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1027.898436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.898436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.898436 (E_RNA)
where:
Base-Base interactions energy: -665.299
where: short stacking energy: -281.826
Base-Backbone interact. energy: -1.004
local terms energy: -361.595189
where:
bonds (distance) C4'-P energy: -74.732
bonds (distance) P-C4' energy: -73.593
flat angles C4'-P-C4' energy: -83.557
flat angles P-C4'-P energy: -52.275
tors. eta vs tors. theta energy: -77.439
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: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -862.756571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.756571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.756571 (E_RNA)
where:
Base-Base interactions energy: -539.196
where: short stacking energy: -237.421
Base-Backbone interact. energy: -0.361
local terms energy: -323.200109
where:
bonds (distance) C4'-P energy: -80.657
bonds (distance) P-C4' energy: -56.598
flat angles C4'-P-C4' energy: -69.695
flat angles P-C4'-P energy: -52.972
tors. eta vs tors. theta energy: -63.278
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -467.286154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.286154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.286154 (E_RNA)
where:
Base-Base interactions energy: -230.607
where: short stacking energy: -124.645
Base-Backbone interact. energy: -1.931
local terms energy: -234.748056
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -56.878
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -35.066
tors. eta vs tors. theta energy: -3.188
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: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -390.108250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.108250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.108250 (E_RNA)
where:
Base-Base interactions energy: -169.137
where: short stacking energy: -127.139
Base-Backbone interact. energy: -1.273
local terms energy: -219.698994
where:
bonds (distance) C4'-P energy: -68.242
bonds (distance) P-C4' energy: -72.159
flat angles C4'-P-C4' energy: -52.222
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -5.682
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: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -373.924607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.924607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.924607 (E_RNA)
where:
Base-Base interactions energy: -161.405
where: short stacking energy: -85.937
Base-Backbone interact. energy: 3.290
local terms energy: -215.809694
where:
bonds (distance) C4'-P energy: -67.699
bonds (distance) P-C4' energy: -73.819
flat angles C4'-P-C4' energy: -70.235
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: 15.862
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: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1395.176620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.176620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.176620 (E_RNA)
where:
Base-Base interactions energy: -952.298
where: short stacking energy: -381.593
Base-Backbone interact. energy: -0.376
local terms energy: -442.502146
where:
bonds (distance) C4'-P energy: -81.391
bonds (distance) P-C4' energy: -80.456
flat angles C4'-P-C4' energy: -88.318
flat angles P-C4'-P energy: -67.177
tors. eta vs tors. theta energy: -125.161
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: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1332.398881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.398881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.398881 (E_RNA)
where:
Base-Base interactions energy: -902.748
where: short stacking energy: -370.750
Base-Backbone interact. energy: -1.873
local terms energy: -427.777444
where:
bonds (distance) C4'-P energy: -78.196
bonds (distance) P-C4' energy: -75.269
flat angles C4'-P-C4' energy: -93.194
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -116.976
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: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1283.851241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.851241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.851241 (E_RNA)
where:
Base-Base interactions energy: -879.647
where: short stacking energy: -365.193
Base-Backbone interact. energy: -2.469
local terms energy: -401.735636
where:
bonds (distance) C4'-P energy: -70.035
bonds (distance) P-C4' energy: -75.163
flat angles C4'-P-C4' energy: -78.966
flat angles P-C4'-P energy: -60.290
tors. eta vs tors. theta energy: -117.282
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1230.163416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.163416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.163416 (E_RNA)
where:
Base-Base interactions energy: -823.207
where: short stacking energy: -336.146
Base-Backbone interact. energy: -0.973
local terms energy: -405.982711
where:
bonds (distance) C4'-P energy: -77.279
bonds (distance) P-C4' energy: -83.591
flat angles C4'-P-C4' energy: -86.205
flat angles P-C4'-P energy: -51.201
tors. eta vs tors. theta energy: -107.707
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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1137.887142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.887142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.887142 (E_RNA)
where:
Base-Base interactions energy: -775.023
where: short stacking energy: -352.174
Base-Backbone interact. energy: 2.435
local terms energy: -365.298876
where:
bonds (distance) C4'-P energy: -72.985
bonds (distance) P-C4' energy: -64.454
flat angles C4'-P-C4' energy: -72.709
flat angles P-C4'-P energy: -53.426
tors. eta vs tors. theta energy: -101.725
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1030.394283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.394283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.394283 (E_RNA)
where:
Base-Base interactions energy: -674.267
where: short stacking energy: -284.212
Base-Backbone interact. energy: -0.919
local terms energy: -355.208145
where:
bonds (distance) C4'-P energy: -75.711
bonds (distance) P-C4' energy: -83.212
flat angles C4'-P-C4' energy: -73.371
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -80.953
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: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -844.166327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.166327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.166327 (E_RNA)
where:
Base-Base interactions energy: -525.958
where: short stacking energy: -238.697
Base-Backbone interact. energy: -1.757
local terms energy: -316.451485
where:
bonds (distance) C4'-P energy: -68.941
bonds (distance) P-C4' energy: -66.287
flat angles C4'-P-C4' energy: -73.310
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -70.789
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: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -446.475840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.475840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.475840 (E_RNA)
where:
Base-Base interactions energy: -202.503
where: short stacking energy: -110.890
Base-Backbone interact. energy: -3.671
local terms energy: -240.301563
where:
bonds (distance) C4'-P energy: -76.688
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -3.755
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: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -461.233408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.233408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.233408 (E_RNA)
where:
Base-Base interactions energy: -250.673
where: short stacking energy: -121.516
Base-Backbone interact. energy: 0.265
local terms energy: -210.824634
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -65.221
flat angles C4'-P-C4' energy: -58.888
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -0.140
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: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -317.235552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.235552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.235552 (E_RNA)
where:
Base-Base interactions energy: -113.575
where: short stacking energy: -92.457
Base-Backbone interact. energy: -0.605
local terms energy: -203.054817
where:
bonds (distance) C4'-P energy: -59.882
bonds (distance) P-C4' energy: -58.700
flat angles C4'-P-C4' energy: -65.356
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -2.986
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: 203
Temperature: 0.900000
Total energy: -1432.259959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.259959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.259959 (E_RNA)
where:
Base-Base interactions energy: -988.031
where: short stacking energy: -403.646
Base-Backbone interact. energy: -1.751
local terms energy: -442.477709
where:
bonds (distance) C4'-P energy: -82.190
bonds (distance) P-C4' energy: -86.157
flat angles C4'-P-C4' energy: -87.899
flat angles P-C4'-P energy: -56.568
tors. eta vs tors. theta energy: -129.664
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: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1312.272541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.272541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.272541 (E_RNA)
where:
Base-Base interactions energy: -896.426
where: short stacking energy: -375.275
Base-Backbone interact. energy: -1.920
local terms energy: -413.926316
where:
bonds (distance) C4'-P energy: -82.701
bonds (distance) P-C4' energy: -80.037
flat angles C4'-P-C4' energy: -85.122
flat angles P-C4'-P energy: -50.614
tors. eta vs tors. theta energy: -115.453
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1303.881720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.881720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.881720 (E_RNA)
where:
Base-Base interactions energy: -891.808
where: short stacking energy: -368.622
Base-Backbone interact. energy: -1.540
local terms energy: -410.533835
where:
bonds (distance) C4'-P energy: -78.734
bonds (distance) P-C4' energy: -73.735
flat angles C4'-P-C4' energy: -88.909
flat angles P-C4'-P energy: -60.892
tors. eta vs tors. theta energy: -108.263
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: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1228.236373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.236373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.236373 (E_RNA)
where:
Base-Base interactions energy: -830.042
where: short stacking energy: -328.157
Base-Backbone interact. energy: -0.967
local terms energy: -397.227319
where:
bonds (distance) C4'-P energy: -78.517
bonds (distance) P-C4' energy: -68.360
flat angles C4'-P-C4' energy: -98.631
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -104.383
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: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1171.075488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.075488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.075488 (E_RNA)
where:
Base-Base interactions energy: -788.344
where: short stacking energy: -373.460
Base-Backbone interact. energy: -0.172
local terms energy: -382.559285
where:
bonds (distance) C4'-P energy: -68.899
bonds (distance) P-C4' energy: -69.692
flat angles C4'-P-C4' energy: -70.618
flat angles P-C4'-P energy: -58.297
tors. eta vs tors. theta energy: -115.054
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: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1004.739073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.739073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.739073 (E_RNA)
where:
Base-Base interactions energy: -651.238
where: short stacking energy: -277.761
Base-Backbone interact. energy: -0.686
local terms energy: -352.815825
where:
bonds (distance) C4'-P energy: -65.533
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -77.286
flat angles P-C4'-P energy: -50.338
tors. eta vs tors. theta energy: -93.178
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: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -821.363515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.363515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.363515 (E_RNA)
where:
Base-Base interactions energy: -535.178
where: short stacking energy: -239.783
Base-Backbone interact. energy: 0.326
local terms energy: -286.511050
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -67.647
flat angles C4'-P-C4' energy: -69.610
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -47.706
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: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -467.384679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.384679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.384679 (E_RNA)
where:
Base-Base interactions energy: -218.911
where: short stacking energy: -138.722
Base-Backbone interact. energy: -2.355
local terms energy: -246.119436
where:
bonds (distance) C4'-P energy: -61.889
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -66.701
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -15.373
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: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -434.627928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.627928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.627928 (E_RNA)
where:
Base-Base interactions energy: -194.735
where: short stacking energy: -114.294
Base-Backbone interact. energy: -0.165
local terms energy: -239.727304
where:
bonds (distance) C4'-P energy: -50.984
bonds (distance) P-C4' energy: -79.010
flat angles C4'-P-C4' energy: -60.661
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -9.386
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: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -317.180814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.180814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.180814 (E_RNA)
where:
Base-Base interactions energy: -98.324
where: short stacking energy: -85.146
Base-Backbone interact. energy: -0.183
local terms energy: -218.674760
where:
bonds (distance) C4'-P energy: -69.810
bonds (distance) P-C4' energy: -65.756
flat angles C4'-P-C4' energy: -58.746
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: 8.743
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: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1404.954549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.954549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.954549 (E_RNA)
where:
Base-Base interactions energy: -963.715
where: short stacking energy: -409.581
Base-Backbone interact. energy: -0.335
local terms energy: -440.904839
where:
bonds (distance) C4'-P energy: -84.743
bonds (distance) P-C4' energy: -72.248
flat angles C4'-P-C4' energy: -97.039
flat angles P-C4'-P energy: -68.395
tors. eta vs tors. theta energy: -118.479
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: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1301.163068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.163068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.163068 (E_RNA)
where:
Base-Base interactions energy: -895.216
where: short stacking energy: -370.998
Base-Backbone interact. energy: 2.838
local terms energy: -408.784931
where:
bonds (distance) C4'-P energy: -75.186
bonds (distance) P-C4' energy: -79.952
flat angles C4'-P-C4' energy: -82.304
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -119.671
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: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1311.758666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.758666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.758666 (E_RNA)
where:
Base-Base interactions energy: -904.433
where: short stacking energy: -376.244
Base-Backbone interact. energy: -0.952
local terms energy: -406.373747
where:
bonds (distance) C4'-P energy: -76.894
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -88.461
flat angles P-C4'-P energy: -56.812
tors. eta vs tors. theta energy: -114.480
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: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1231.601321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.601321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.601321 (E_RNA)
where:
Base-Base interactions energy: -834.302
where: short stacking energy: -354.695
Base-Backbone interact. energy: 1.887
local terms energy: -399.186292
where:
bonds (distance) C4'-P energy: -63.293
bonds (distance) P-C4' energy: -71.364
flat angles C4'-P-C4' energy: -89.766
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -111.219
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: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1138.300956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.300956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.300956 (E_RNA)
where:
Base-Base interactions energy: -742.327
where: short stacking energy: -322.422
Base-Backbone interact. energy: -0.485
local terms energy: -395.489075
where:
bonds (distance) C4'-P energy: -78.369
bonds (distance) P-C4' energy: -68.475
flat angles C4'-P-C4' energy: -84.068
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -100.506
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: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1006.638731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.638731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.638731 (E_RNA)
where:
Base-Base interactions energy: -655.312
where: short stacking energy: -278.069
Base-Backbone interact. energy: 0.947
local terms energy: -352.272917
where:
bonds (distance) C4'-P energy: -64.395
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -93.100
flat angles P-C4'-P energy: -47.809
tors. eta vs tors. theta energy: -87.997
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: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -830.921198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.921198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.921198 (E_RNA)
where:
Base-Base interactions energy: -528.355
where: short stacking energy: -211.191
Base-Backbone interact. energy: -2.880
local terms energy: -299.686923
where:
bonds (distance) C4'-P energy: -62.622
bonds (distance) P-C4' energy: -72.448
flat angles C4'-P-C4' energy: -71.799
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -46.609
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: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -449.726908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.726908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.726908 (E_RNA)
where:
Base-Base interactions energy: -204.471
where: short stacking energy: -121.151
Base-Backbone interact. energy: -0.751
local terms energy: -244.504956
where:
bonds (distance) C4'-P energy: -69.382
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -61.618
flat angles P-C4'-P energy: -42.320
tors. eta vs tors. theta energy: -16.175
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: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -439.546437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.546437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.546437 (E_RNA)
where:
Base-Base interactions energy: -219.666
where: short stacking energy: -126.706
Base-Backbone interact. energy: 6.541
local terms energy: -226.421942
where:
bonds (distance) C4'-P energy: -66.670
bonds (distance) P-C4' energy: -64.784
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -40.957
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: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -320.355069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.355069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.355069 (E_RNA)
where:
Base-Base interactions energy: -101.520
where: short stacking energy: -97.824
Base-Backbone interact. energy: 1.470
local terms energy: -220.305474
where:
bonds (distance) C4'-P energy: -72.799
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -57.007
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: 2.015
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: 205
Temperature: 0.900000
Total energy: -1397.835146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.835146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.835146 (E_RNA)
where:
Base-Base interactions energy: -954.753
where: short stacking energy: -381.557
Base-Backbone interact. energy: -0.505
local terms energy: -442.576998
where:
bonds (distance) C4'-P energy: -85.736
bonds (distance) P-C4' energy: -77.873
flat angles C4'-P-C4' energy: -93.942
flat angles P-C4'-P energy: -69.497
tors. eta vs tors. theta energy: -115.530
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: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1321.975715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.975715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.975715 (E_RNA)
where:
Base-Base interactions energy: -906.780
where: short stacking energy: -377.107
Base-Backbone interact. energy: -1.314
local terms energy: -413.881338
where:
bonds (distance) C4'-P energy: -80.398
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -87.365
flat angles P-C4'-P energy: -56.963
tors. eta vs tors. theta energy: -109.053
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: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1310.145229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.145229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.145229 (E_RNA)
where:
Base-Base interactions energy: -907.969
where: short stacking energy: -373.235
Base-Backbone interact. energy: -1.620
local terms energy: -400.556093
where:
bonds (distance) C4'-P energy: -76.692
bonds (distance) P-C4' energy: -74.373
flat angles C4'-P-C4' energy: -88.262
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -105.072
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: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1238.756640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.756640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.756640 (E_RNA)
where:
Base-Base interactions energy: -838.794
where: short stacking energy: -363.332
Base-Backbone interact. energy: 1.845
local terms energy: -401.808211
where:
bonds (distance) C4'-P energy: -70.599
bonds (distance) P-C4' energy: -80.961
flat angles C4'-P-C4' energy: -86.290
flat angles P-C4'-P energy: -56.924
tors. eta vs tors. theta energy: -107.035
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: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1199.562723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.562723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.562723 (E_RNA)
where:
Base-Base interactions energy: -791.071
where: short stacking energy: -376.131
Base-Backbone interact. energy: -1.916
local terms energy: -406.575886
where:
bonds (distance) C4'-P energy: -80.387
bonds (distance) P-C4' energy: -75.947
flat angles C4'-P-C4' energy: -77.415
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: -121.724
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: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1052.213414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.213414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.213414 (E_RNA)
where:
Base-Base interactions energy: -690.791
where: short stacking energy: -301.736
Base-Backbone interact. energy: -0.542
local terms energy: -360.880474
where:
bonds (distance) C4'-P energy: -67.081
bonds (distance) P-C4' energy: -72.532
flat angles C4'-P-C4' energy: -85.438
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -83.826
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: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -831.998159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.998159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.998159 (E_RNA)
where:
Base-Base interactions energy: -541.263
where: short stacking energy: -211.112
Base-Backbone interact. energy: -1.888
local terms energy: -288.847979
where:
bonds (distance) C4'-P energy: -69.540
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -75.012
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -51.766
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: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -437.778193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.778193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.778193 (E_RNA)
where:
Base-Base interactions energy: -195.648
where: short stacking energy: -126.433
Base-Backbone interact. energy: -0.461
local terms energy: -241.668409
where:
bonds (distance) C4'-P energy: -59.976
bonds (distance) P-C4' energy: -69.301
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -45.643
tors. eta vs tors. theta energy: -10.251
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: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -390.814194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.814194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.814194 (E_RNA)
where:
Base-Base interactions energy: -174.102
where: short stacking energy: -98.226
Base-Backbone interact. energy: -1.886
local terms energy: -214.826126
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -60.397
flat angles C4'-P-C4' energy: -64.673
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: 6.756
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: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -333.128960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.128960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.128960 (E_RNA)
where:
Base-Base interactions energy: -123.289
where: short stacking energy: -82.411
Base-Backbone interact. energy: -0.724
local terms energy: -209.115627
where:
bonds (distance) C4'-P energy: -70.948
bonds (distance) P-C4' energy: -72.390
flat angles C4'-P-C4' energy: -46.834
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: 12.029
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: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1408.560533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.560533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.560533 (E_RNA)
where:
Base-Base interactions energy: -973.669
where: short stacking energy: -394.855
Base-Backbone interact. energy: -2.311
local terms energy: -432.580334
where:
bonds (distance) C4'-P energy: -77.918
bonds (distance) P-C4' energy: -84.776
flat angles C4'-P-C4' energy: -89.482
flat angles P-C4'-P energy: -57.753
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: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1319.670458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.670458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.670458 (E_RNA)
where:
Base-Base interactions energy: -915.497
where: short stacking energy: -375.785
Base-Backbone interact. energy: -2.364
local terms energy: -401.809514
where:
bonds (distance) C4'-P energy: -71.423
bonds (distance) P-C4' energy: -71.010
flat angles C4'-P-C4' energy: -86.504
flat angles P-C4'-P energy: -58.916
tors. eta vs tors. theta energy: -113.957
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: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1310.652979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.652979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.652979 (E_RNA)
where:
Base-Base interactions energy: -909.034
where: short stacking energy: -365.893
Base-Backbone interact. energy: -3.651
local terms energy: -397.968298
where:
bonds (distance) C4'-P energy: -78.747
bonds (distance) P-C4' energy: -79.682
flat angles C4'-P-C4' energy: -82.020
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -103.885
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1220.340055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.340055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.340055 (E_RNA)
where:
Base-Base interactions energy: -817.263
where: short stacking energy: -340.679
Base-Backbone interact. energy: -0.531
local terms energy: -402.546634
where:
bonds (distance) C4'-P energy: -76.425
bonds (distance) P-C4' energy: -77.246
flat angles C4'-P-C4' energy: -75.455
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -109.528
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: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1129.643537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.643537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.643537 (E_RNA)
where:
Base-Base interactions energy: -751.188
where: short stacking energy: -336.497
Base-Backbone interact. energy: 0.040
local terms energy: -378.495547
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -66.469
flat angles C4'-P-C4' energy: -70.472
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: -110.976
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1041.846699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.846699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.846699 (E_RNA)
where:
Base-Base interactions energy: -700.763
where: short stacking energy: -289.457
Base-Backbone interact. energy: 0.227
local terms energy: -341.310332
where:
bonds (distance) C4'-P energy: -74.800
bonds (distance) P-C4' energy: -72.112
flat angles C4'-P-C4' energy: -81.589
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -76.475
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: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -824.932455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.932455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.932455 (E_RNA)
where:
Base-Base interactions energy: -536.018
where: short stacking energy: -217.914
Base-Backbone interact. energy: -2.282
local terms energy: -286.631823
where:
bonds (distance) C4'-P energy: -61.956
bonds (distance) P-C4' energy: -75.971
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -38.788
tors. eta vs tors. theta energy: -48.259
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: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -480.723332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.723332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.723332 (E_RNA)
where:
Base-Base interactions energy: -237.841
where: short stacking energy: -167.960
Base-Backbone interact. energy: 4.784
local terms energy: -247.667031
where:
bonds (distance) C4'-P energy: -64.428
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -54.602
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -31.065
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: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -356.446986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.446986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.446986 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -115.719
Base-Backbone interact. energy: 0.770
local terms energy: -225.735654
where:
bonds (distance) C4'-P energy: -74.551
bonds (distance) P-C4' energy: -69.692
flat angles C4'-P-C4' energy: -64.538
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: 9.897
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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -363.769318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.769318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.769318 (E_RNA)
where:
Base-Base interactions energy: -148.698
where: short stacking energy: -101.216
Base-Backbone interact. energy: 2.596
local terms energy: -217.666955
where:
bonds (distance) C4'-P energy: -62.463
bonds (distance) P-C4' energy: -59.732
flat angles C4'-P-C4' energy: -56.235
flat angles P-C4'-P energy: -50.786
tors. eta vs tors. theta energy: 11.549
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: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1417.781563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.781563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.781563 (E_RNA)
where:
Base-Base interactions energy: -982.724
where: short stacking energy: -396.078
Base-Backbone interact. energy: 4.879
local terms energy: -439.937203
where:
bonds (distance) C4'-P energy: -81.964
bonds (distance) P-C4' energy: -84.540
flat angles C4'-P-C4' energy: -85.842
flat angles P-C4'-P energy: -65.916
tors. eta vs tors. theta energy: -121.675
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: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1313.803437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.803437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.803437 (E_RNA)
where:
Base-Base interactions energy: -906.463
where: short stacking energy: -367.797
Base-Backbone interact. energy: -2.152
local terms energy: -405.188005
where:
bonds (distance) C4'-P energy: -83.303
bonds (distance) P-C4' energy: -61.197
flat angles C4'-P-C4' energy: -93.586
flat angles P-C4'-P energy: -55.460
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: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1317.226395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.226395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.226395 (E_RNA)
where:
Base-Base interactions energy: -901.883
where: short stacking energy: -383.620
Base-Backbone interact. energy: -3.485
local terms energy: -411.858003
where:
bonds (distance) C4'-P energy: -74.108
bonds (distance) P-C4' energy: -77.475
flat angles C4'-P-C4' energy: -85.505
flat angles P-C4'-P energy: -53.568
tors. eta vs tors. theta energy: -121.202
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: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1232.739741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.739741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.739741 (E_RNA)
where:
Base-Base interactions energy: -849.968
where: short stacking energy: -358.913
Base-Backbone interact. energy: 0.019
local terms energy: -382.790580
where:
bonds (distance) C4'-P energy: -76.527
bonds (distance) P-C4' energy: -75.471
flat angles C4'-P-C4' energy: -80.091
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -100.336
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: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1123.076535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.076535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.076535 (E_RNA)
where:
Base-Base interactions energy: -735.080
where: short stacking energy: -328.278
Base-Backbone interact. energy: -0.882
local terms energy: -387.114496
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -91.297
flat angles P-C4'-P energy: -50.897
tors. eta vs tors. theta energy: -105.053
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1008.208650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.208650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.208650 (E_RNA)
where:
Base-Base interactions energy: -656.087
where: short stacking energy: -278.571
Base-Backbone interact. energy: 1.257
local terms energy: -353.378900
where:
bonds (distance) C4'-P energy: -76.012
bonds (distance) P-C4' energy: -74.470
flat angles C4'-P-C4' energy: -72.270
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -81.359
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: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -902.084003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.084003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.084003 (E_RNA)
where:
Base-Base interactions energy: -585.140
where: short stacking energy: -256.968
Base-Backbone interact. energy: 2.080
local terms energy: -319.024524
where:
bonds (distance) C4'-P energy: -78.822
bonds (distance) P-C4' energy: -69.397
flat angles C4'-P-C4' energy: -70.169
flat angles P-C4'-P energy: -47.244
tors. eta vs tors. theta energy: -53.393
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: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -437.172017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.172017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.172017 (E_RNA)
where:
Base-Base interactions energy: -194.674
where: short stacking energy: -115.134
Base-Backbone interact. energy: 1.978
local terms energy: -244.475870
where:
bonds (distance) C4'-P energy: -64.372
bonds (distance) P-C4' energy: -68.598
flat angles C4'-P-C4' energy: -60.952
flat angles P-C4'-P energy: -43.324
tors. eta vs tors. theta energy: -7.231
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: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -370.678093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.678093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.678093 (E_RNA)
where:
Base-Base interactions energy: -164.860
where: short stacking energy: -109.470
Base-Backbone interact. energy: 7.103
local terms energy: -212.920777
where:
bonds (distance) C4'-P energy: -64.977
bonds (distance) P-C4' energy: -71.267
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: 5.517
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: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -324.099205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.099205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.099205 (E_RNA)
where:
Base-Base interactions energy: -103.609
where: short stacking energy: -81.436
Base-Backbone interact. energy: 1.123
local terms energy: -221.613255
where:
bonds (distance) C4'-P energy: -72.038
bonds (distance) P-C4' energy: -77.641
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: 4.689
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: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1401.830578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.830578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.830578 (E_RNA)
where:
Base-Base interactions energy: -985.309
where: short stacking energy: -400.301
Base-Backbone interact. energy: -2.468
local terms energy: -414.053935
where:
bonds (distance) C4'-P energy: -68.970
bonds (distance) P-C4' energy: -83.093
flat angles C4'-P-C4' energy: -84.927
flat angles P-C4'-P energy: -51.872
tors. eta vs tors. theta energy: -125.192
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: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1321.399944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.399944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.399944 (E_RNA)
where:
Base-Base interactions energy: -912.451
where: short stacking energy: -387.239
Base-Backbone interact. energy: -2.156
local terms energy: -406.793107
where:
bonds (distance) C4'-P energy: -76.503
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -90.370
flat angles P-C4'-P energy: -50.029
tors. eta vs tors. theta energy: -117.498
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1298.556704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.556704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.556704 (E_RNA)
where:
Base-Base interactions energy: -895.992
where: short stacking energy: -351.715
Base-Backbone interact. energy: -2.150
local terms energy: -400.414991
where:
bonds (distance) C4'-P energy: -80.942
bonds (distance) P-C4' energy: -74.540
flat angles C4'-P-C4' energy: -86.482
flat angles P-C4'-P energy: -57.082
tors. eta vs tors. theta energy: -101.368
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1223.389511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.389511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.389511 (E_RNA)
where:
Base-Base interactions energy: -822.955
where: short stacking energy: -347.562
Base-Backbone interact. energy: 0.354
local terms energy: -400.788920
where:
bonds (distance) C4'-P energy: -67.577
bonds (distance) P-C4' energy: -74.999
flat angles C4'-P-C4' energy: -89.013
flat angles P-C4'-P energy: -58.401
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: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1158.869268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.869268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.869268 (E_RNA)
where:
Base-Base interactions energy: -785.956
where: short stacking energy: -359.562
Base-Backbone interact. energy: -0.104
local terms energy: -372.809159
where:
bonds (distance) C4'-P energy: -68.259
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -80.733
flat angles P-C4'-P energy: -49.086
tors. eta vs tors. theta energy: -114.825
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: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1045.804692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.804692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.804692 (E_RNA)
where:
Base-Base interactions energy: -689.121
where: short stacking energy: -289.139
Base-Backbone interact. energy: 1.417
local terms energy: -358.100832
where:
bonds (distance) C4'-P energy: -71.395
bonds (distance) P-C4' energy: -74.047
flat angles C4'-P-C4' energy: -76.374
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -85.793
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: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -881.570698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.570698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.570698 (E_RNA)
where:
Base-Base interactions energy: -569.647
where: short stacking energy: -249.807
Base-Backbone interact. energy: -1.159
local terms energy: -310.764569
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -66.068
flat angles C4'-P-C4' energy: -82.399
flat angles P-C4'-P energy: -44.188
tors. eta vs tors. theta energy: -57.677
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: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -451.050558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.050558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.050558 (E_RNA)
where:
Base-Base interactions energy: -228.526
where: short stacking energy: -111.551
Base-Backbone interact. energy: -1.306
local terms energy: -221.218455
where:
bonds (distance) C4'-P energy: -57.435
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -68.492
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: 6.394
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: 208
Temperature: 1.300000
Total energy: -331.818473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.818473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.818473 (E_RNA)
where:
Base-Base interactions energy: -111.258
where: short stacking energy: -94.169
Base-Backbone interact. energy: -1.936
local terms energy: -218.625029
where:
bonds (distance) C4'-P energy: -65.932
bonds (distance) P-C4' energy: -74.168
flat angles C4'-P-C4' energy: -53.828
flat angles P-C4'-P energy: -31.712
tors. eta vs tors. theta energy: 7.015
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: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -313.035889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.035889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.035889 (E_RNA)
where:
Base-Base interactions energy: -104.188
where: short stacking energy: -84.576
Base-Backbone interact. energy: -0.823
local terms energy: -208.024263
where:
bonds (distance) C4'-P energy: -56.992
bonds (distance) P-C4' energy: -76.128
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -33.543
tors. eta vs tors. theta energy: 13.826
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: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1391.052806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.052806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.052806 (E_RNA)
where:
Base-Base interactions energy: -975.754
where: short stacking energy: -389.810
Base-Backbone interact. energy: 7.213
local terms energy: -422.512268
where:
bonds (distance) C4'-P energy: -70.887
bonds (distance) P-C4' energy: -83.418
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -122.646
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: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1335.461894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.461894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.461894 (E_RNA)
where:
Base-Base interactions energy: -904.654
where: short stacking energy: -387.956
Base-Backbone interact. energy: -1.655
local terms energy: -429.152881
where:
bonds (distance) C4'-P energy: -87.561
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -88.560
flat angles P-C4'-P energy: -63.813
tors. eta vs tors. theta energy: -113.381
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: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1329.167080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.167080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.167080 (E_RNA)
where:
Base-Base interactions energy: -924.938
where: short stacking energy: -374.420
Base-Backbone interact. energy: -1.673
local terms energy: -402.556867
where:
bonds (distance) C4'-P energy: -76.346
bonds (distance) P-C4' energy: -78.991
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -51.697
tors. eta vs tors. theta energy: -109.253
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: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1228.233628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.233628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.233628 (E_RNA)
where:
Base-Base interactions energy: -818.394
where: short stacking energy: -350.822
Base-Backbone interact. energy: -0.655
local terms energy: -409.184402
where:
bonds (distance) C4'-P energy: -70.895
bonds (distance) P-C4' energy: -81.680
flat angles C4'-P-C4' energy: -88.359
flat angles P-C4'-P energy: -58.318
tors. eta vs tors. theta energy: -109.933
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: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1162.349657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.349657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.349657 (E_RNA)
where:
Base-Base interactions energy: -757.913
where: short stacking energy: -334.246
Base-Backbone interact. energy: -1.900
local terms energy: -402.537554
where:
bonds (distance) C4'-P energy: -75.593
bonds (distance) P-C4' energy: -81.019
flat angles C4'-P-C4' energy: -91.535
flat angles P-C4'-P energy: -53.536
tors. eta vs tors. theta energy: -100.854
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: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1045.166828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.166828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.166828 (E_RNA)
where:
Base-Base interactions energy: -694.348
where: short stacking energy: -305.999
Base-Backbone interact. energy: -0.261
local terms energy: -350.557837
where:
bonds (distance) C4'-P energy: -69.290
bonds (distance) P-C4' energy: -71.527
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -50.953
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: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -865.459842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.459842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.459842 (E_RNA)
where:
Base-Base interactions energy: -599.131
where: short stacking energy: -265.732
Base-Backbone interact. energy: 0.535
local terms energy: -266.864107
where:
bonds (distance) C4'-P energy: -55.381
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: -52.024
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: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -448.944371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.944371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.944371 (E_RNA)
where:
Base-Base interactions energy: -199.065
where: short stacking energy: -115.580
Base-Backbone interact. energy: -0.719
local terms energy: -249.160823
where:
bonds (distance) C4'-P energy: -63.919
bonds (distance) P-C4' energy: -76.892
flat angles C4'-P-C4' energy: -64.436
flat angles P-C4'-P energy: -42.854
tors. eta vs tors. theta energy: -1.060
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: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -328.467946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.467946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.467946 (E_RNA)
where:
Base-Base interactions energy: -84.553
where: short stacking energy: -77.404
Base-Backbone interact. energy: -1.948
local terms energy: -241.967316
where:
bonds (distance) C4'-P energy: -70.162
bonds (distance) P-C4' energy: -67.931
flat angles C4'-P-C4' energy: -68.886
flat angles P-C4'-P energy: -40.045
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: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -298.968905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.968905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.968905 (E_RNA)
where:
Base-Base interactions energy: -99.479
where: short stacking energy: -83.051
Base-Backbone interact. energy: 2.520
local terms energy: -202.009981
where:
bonds (distance) C4'-P energy: -69.501
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -30.220
tors. eta vs tors. theta energy: 21.304
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: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1385.870106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.870106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.870106 (E_RNA)
where:
Base-Base interactions energy: -962.525
where: short stacking energy: -394.048
Base-Backbone interact. energy: -0.233
local terms energy: -423.112251
where:
bonds (distance) C4'-P energy: -75.861
bonds (distance) P-C4' energy: -72.149
flat angles C4'-P-C4' energy: -90.793
flat angles P-C4'-P energy: -52.634
tors. eta vs tors. theta energy: -131.676
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: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1340.034389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.034389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.034389 (E_RNA)
where:
Base-Base interactions energy: -930.471
where: short stacking energy: -390.284
Base-Backbone interact. energy: -1.328
local terms energy: -408.235817
where:
bonds (distance) C4'-P energy: -68.871
bonds (distance) P-C4' energy: -85.789
flat angles C4'-P-C4' energy: -81.964
flat angles P-C4'-P energy: -63.138
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: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1337.743665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.743665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.743665 (E_RNA)
where:
Base-Base interactions energy: -900.727
where: short stacking energy: -366.135
Base-Backbone interact. energy: -4.784
local terms energy: -432.232526
where:
bonds (distance) C4'-P energy: -82.030
bonds (distance) P-C4' energy: -90.291
flat angles C4'-P-C4' energy: -94.788
flat angles P-C4'-P energy: -55.905
tors. eta vs tors. theta energy: -109.218
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: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1226.906319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.906319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.906319 (E_RNA)
where:
Base-Base interactions energy: -825.269
where: short stacking energy: -342.273
Base-Backbone interact. energy: -1.809
local terms energy: -399.829055
where:
bonds (distance) C4'-P energy: -78.450
bonds (distance) P-C4' energy: -82.510
flat angles C4'-P-C4' energy: -89.416
flat angles P-C4'-P energy: -42.930
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: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1124.456406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.456406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.456406 (E_RNA)
where:
Base-Base interactions energy: -729.824
where: short stacking energy: -340.276
Base-Backbone interact. energy: -0.794
local terms energy: -393.838839
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -77.695
flat angles C4'-P-C4' energy: -84.752
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: -102.756
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1024.330095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.330095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.330095 (E_RNA)
where:
Base-Base interactions energy: -664.665
where: short stacking energy: -272.179
Base-Backbone interact. energy: -1.779
local terms energy: -357.885941
where:
bonds (distance) C4'-P energy: -66.871
bonds (distance) P-C4' energy: -76.188
flat angles C4'-P-C4' energy: -79.871
flat angles P-C4'-P energy: -57.298
tors. eta vs tors. theta energy: -77.658
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: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -882.340486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.340486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.340486 (E_RNA)
where:
Base-Base interactions energy: -589.508
where: short stacking energy: -264.282
Base-Backbone interact. energy: -0.313
local terms energy: -292.519889
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -60.974
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: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -419.058008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.058008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.058008 (E_RNA)
where:
Base-Base interactions energy: -187.611
where: short stacking energy: -104.085
Base-Backbone interact. energy: 3.019
local terms energy: -234.465479
where:
bonds (distance) C4'-P energy: -77.423
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: 7.009
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: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -352.064501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.064501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.064501 (E_RNA)
where:
Base-Base interactions energy: -129.089
where: short stacking energy: -98.362
Base-Backbone interact. energy: -0.251
local terms energy: -222.724299
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -75.843
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -2.193
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: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -304.738057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.738057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.738057 (E_RNA)
where:
Base-Base interactions energy: -83.912
where: short stacking energy: -80.782
Base-Backbone interact. energy: -1.037
local terms energy: -219.788938
where:
bonds (distance) C4'-P energy: -56.810
bonds (distance) P-C4' energy: -66.581
flat angles C4'-P-C4' energy: -54.934
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -0.148
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: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1404.383470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.383470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.383470 (E_RNA)
where:
Base-Base interactions energy: -986.018
where: short stacking energy: -401.517
Base-Backbone interact. energy: 1.729
local terms energy: -420.094062
where:
bonds (distance) C4'-P energy: -91.391
bonds (distance) P-C4' energy: -69.214
flat angles C4'-P-C4' energy: -88.404
flat angles P-C4'-P energy: -49.858
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: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1335.926417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.926417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.926417 (E_RNA)
where:
Base-Base interactions energy: -912.693
where: short stacking energy: -384.257
Base-Backbone interact. energy: -3.059
local terms energy: -420.173936
where:
bonds (distance) C4'-P energy: -77.038
bonds (distance) P-C4' energy: -87.296
flat angles C4'-P-C4' energy: -87.849
flat angles P-C4'-P energy: -57.718
tors. eta vs tors. theta energy: -110.274
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: 211
Temperature: 1.000000
Total energy: -1332.631565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.631565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.631565 (E_RNA)
where:
Base-Base interactions energy: -918.097
where: short stacking energy: -367.984
Base-Backbone interact. energy: -3.926
local terms energy: -410.608621
where:
bonds (distance) C4'-P energy: -70.619
bonds (distance) P-C4' energy: -73.442
flat angles C4'-P-C4' energy: -81.318
flat angles P-C4'-P energy: -69.807
tors. eta vs tors. theta energy: -115.422
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: 211
Temperature: 1.050000
Total energy: -1227.892020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.892020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.892020 (E_RNA)
where:
Base-Base interactions energy: -844.512
where: short stacking energy: -342.634
Base-Backbone interact. energy: 0.474
local terms energy: -383.854447
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -80.782
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -107.659
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: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1131.282978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.282978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.282978 (E_RNA)
where:
Base-Base interactions energy: -786.154
where: short stacking energy: -347.925
Base-Backbone interact. energy: -0.017
local terms energy: -345.112395
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -78.040
flat angles C4'-P-C4' energy: -65.428
flat angles P-C4'-P energy: -40.761
tors. eta vs tors. theta energy: -96.526
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: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1044.427275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.427275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.427275 (E_RNA)
where:
Base-Base interactions energy: -693.261
where: short stacking energy: -320.474
Base-Backbone interact. energy: -1.218
local terms energy: -349.948190
where:
bonds (distance) C4'-P energy: -64.238
bonds (distance) P-C4' energy: -67.413
flat angles C4'-P-C4' energy: -78.218
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -93.795
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: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -868.146299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.146299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.146299 (E_RNA)
where:
Base-Base interactions energy: -569.321
where: short stacking energy: -249.608
Base-Backbone interact. energy: -3.682
local terms energy: -295.143148
where:
bonds (distance) C4'-P energy: -79.984
bonds (distance) P-C4' energy: -55.851
flat angles C4'-P-C4' energy: -73.132
flat angles P-C4'-P energy: -30.782
tors. eta vs tors. theta energy: -55.394
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: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -441.905621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.905621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.905621 (E_RNA)
where:
Base-Base interactions energy: -221.782
where: short stacking energy: -121.655
Base-Backbone interact. energy: 0.475
local terms energy: -220.598592
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -73.819
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: -4.893
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: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -393.424613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.424613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.424613 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -89.588
Base-Backbone interact. energy: 3.889
local terms energy: -229.215722
where:
bonds (distance) C4'-P energy: -61.164
bonds (distance) P-C4' energy: -71.499
flat angles C4'-P-C4' energy: -68.694
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: 18.983
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: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -305.770040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.770040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.770040 (E_RNA)
where:
Base-Base interactions energy: -97.012
where: short stacking energy: -85.652
Base-Backbone interact. energy: -2.381
local terms energy: -206.376331
where:
bonds (distance) C4'-P energy: -67.045
bonds (distance) P-C4' energy: -59.274
flat angles C4'-P-C4' energy: -52.568
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: 9.603
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: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1399.739085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.739085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.739085 (E_RNA)
where:
Base-Base interactions energy: -965.560
where: short stacking energy: -403.335
Base-Backbone interact. energy: -0.699
local terms energy: -433.479843
where:
bonds (distance) C4'-P energy: -72.392
bonds (distance) P-C4' energy: -85.525
flat angles C4'-P-C4' energy: -98.740
flat angles P-C4'-P energy: -60.286
tors. eta vs tors. theta energy: -116.537
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: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1337.979188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.979188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.979188 (E_RNA)
where:
Base-Base interactions energy: -937.636
where: short stacking energy: -382.013
Base-Backbone interact. energy: -3.103
local terms energy: -397.239517
where:
bonds (distance) C4'-P energy: -76.244
bonds (distance) P-C4' energy: -75.064
flat angles C4'-P-C4' energy: -85.269
flat angles P-C4'-P energy: -48.822
tors. eta vs tors. theta energy: -111.841
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: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1320.775559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.775559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.775559 (E_RNA)
where:
Base-Base interactions energy: -921.065
where: short stacking energy: -377.314
Base-Backbone interact. energy: 0.664
local terms energy: -400.374882
where:
bonds (distance) C4'-P energy: -75.569
bonds (distance) P-C4' energy: -65.748
flat angles C4'-P-C4' energy: -85.752
flat angles P-C4'-P energy: -58.306
tors. eta vs tors. theta energy: -115.000
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1228.390626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.390626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.390626 (E_RNA)
where:
Base-Base interactions energy: -829.118
where: short stacking energy: -351.681
Base-Backbone interact. energy: -0.665
local terms energy: -398.607454
where:
bonds (distance) C4'-P energy: -74.027
bonds (distance) P-C4' energy: -71.678
flat angles C4'-P-C4' energy: -86.209
flat angles P-C4'-P energy: -60.087
tors. eta vs tors. theta energy: -106.605
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: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1133.549498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.549498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.549498 (E_RNA)
where:
Base-Base interactions energy: -741.503
where: short stacking energy: -345.330
Base-Backbone interact. energy: -0.527
local terms energy: -391.518726
where:
bonds (distance) C4'-P energy: -83.776
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -81.997
flat angles P-C4'-P energy: -52.694
tors. eta vs tors. theta energy: -102.736
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: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1042.192971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.192971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.192971 (E_RNA)
where:
Base-Base interactions energy: -707.106
where: short stacking energy: -300.542
Base-Backbone interact. energy: 0.293
local terms energy: -335.379943
where:
bonds (distance) C4'-P energy: -68.761
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -81.441
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -84.345
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: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -775.163792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.163792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.163792 (E_RNA)
where:
Base-Base interactions energy: -483.616
where: short stacking energy: -225.394
Base-Backbone interact. energy: -0.407
local terms energy: -291.140852
where:
bonds (distance) C4'-P energy: -71.652
bonds (distance) P-C4' energy: -62.891
flat angles C4'-P-C4' energy: -65.921
flat angles P-C4'-P energy: -49.720
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: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -495.515754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.515754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.515754 (E_RNA)
where:
Base-Base interactions energy: -232.175
where: short stacking energy: -131.164
Base-Backbone interact. energy: 1.949
local terms energy: -265.289299
where:
bonds (distance) C4'-P energy: -71.168
bonds (distance) P-C4' energy: -73.899
flat angles C4'-P-C4' energy: -62.682
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -17.517
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: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -392.755902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.755902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.755902 (E_RNA)
where:
Base-Base interactions energy: -163.997
where: short stacking energy: -99.568
Base-Backbone interact. energy: -1.098
local terms energy: -227.661152
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -85.363
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: 5.156
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: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -324.773809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.773809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.773809 (E_RNA)
where:
Base-Base interactions energy: -115.219
where: short stacking energy: -104.547
Base-Backbone interact. energy: -1.200
local terms energy: -208.354729
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -63.036
flat angles C4'-P-C4' energy: -55.192
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: 13.440
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: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1409.680463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.680463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.680463 (E_RNA)
where:
Base-Base interactions energy: -979.843
where: short stacking energy: -397.832
Base-Backbone interact. energy: 5.107
local terms energy: -434.943857
where:
bonds (distance) C4'-P energy: -65.509
bonds (distance) P-C4' energy: -86.031
flat angles C4'-P-C4' energy: -100.180
flat angles P-C4'-P energy: -60.857
tors. eta vs tors. theta energy: -122.367
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: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1356.065911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.065911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.065911 (E_RNA)
where:
Base-Base interactions energy: -930.137
where: short stacking energy: -377.350
Base-Backbone interact. energy: 0.085
local terms energy: -426.013327
where:
bonds (distance) C4'-P energy: -82.462
bonds (distance) P-C4' energy: -75.564
flat angles C4'-P-C4' energy: -88.981
flat angles P-C4'-P energy: -67.767
tors. eta vs tors. theta energy: -111.239
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: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1293.567604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.567604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.567604 (E_RNA)
where:
Base-Base interactions energy: -885.250
where: short stacking energy: -372.758
Base-Backbone interact. energy: -1.472
local terms energy: -406.846153
where:
bonds (distance) C4'-P energy: -77.642
bonds (distance) P-C4' energy: -66.866
flat angles C4'-P-C4' energy: -94.419
flat angles P-C4'-P energy: -57.705
tors. eta vs tors. theta energy: -110.215
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: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1231.583174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.583174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.583174 (E_RNA)
where:
Base-Base interactions energy: -821.766
where: short stacking energy: -362.200
Base-Backbone interact. energy: -1.441
local terms energy: -408.376104
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -81.545
flat angles C4'-P-C4' energy: -84.558
flat angles P-C4'-P energy: -56.009
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: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1164.394989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.394989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.394989 (E_RNA)
where:
Base-Base interactions energy: -768.603
where: short stacking energy: -345.475
Base-Backbone interact. energy: -2.256
local terms energy: -393.535520
where:
bonds (distance) C4'-P energy: -79.237
bonds (distance) P-C4' energy: -79.987
flat angles C4'-P-C4' energy: -87.219
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -99.248
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: 213
Temperature: 1.150000
Total energy: -982.481977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.481977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.481977 (E_RNA)
where:
Base-Base interactions energy: -650.137
where: short stacking energy: -272.295
Base-Backbone interact. energy: 0.280
local terms energy: -332.624877
where:
bonds (distance) C4'-P energy: -65.372
bonds (distance) P-C4' energy: -69.508
flat angles C4'-P-C4' energy: -76.196
flat angles P-C4'-P energy: -55.901
tors. eta vs tors. theta energy: -65.647
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: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -769.425454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.425454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.425454 (E_RNA)
where:
Base-Base interactions energy: -467.288
where: short stacking energy: -221.365
Base-Backbone interact. energy: -0.645
local terms energy: -301.492348
where:
bonds (distance) C4'-P energy: -68.252
bonds (distance) P-C4' energy: -69.090
flat angles C4'-P-C4' energy: -86.309
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -42.526
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: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -450.388681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.388681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.388681 (E_RNA)
where:
Base-Base interactions energy: -204.584
where: short stacking energy: -128.081
Base-Backbone interact. energy: 0.574
local terms energy: -246.379004
where:
bonds (distance) C4'-P energy: -69.674
bonds (distance) P-C4' energy: -75.705
flat angles C4'-P-C4' energy: -52.767
flat angles P-C4'-P energy: -28.711
tors. eta vs tors. theta energy: -19.522
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: 213
Temperature: 1.300000
Total energy: -418.830061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.830061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.830061 (E_RNA)
where:
Base-Base interactions energy: -180.878
where: short stacking energy: -98.498
Base-Backbone interact. energy: -1.694
local terms energy: -236.258174
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -39.637
tors. eta vs tors. theta energy: -4.071
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -382.722150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.722150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.722150 (E_RNA)
where:
Base-Base interactions energy: -159.150
where: short stacking energy: -95.396
Base-Backbone interact. energy: -2.282
local terms energy: -221.289301
where:
bonds (distance) C4'-P energy: -74.055
bonds (distance) P-C4' energy: -69.419
flat angles C4'-P-C4' energy: -50.786
flat angles P-C4'-P energy: -39.286
tors. eta vs tors. theta energy: 12.256
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: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1398.600556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.600556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.600556 (E_RNA)
where:
Base-Base interactions energy: -952.211
where: short stacking energy: -401.115
Base-Backbone interact. energy: -0.544
local terms energy: -445.845388
where:
bonds (distance) C4'-P energy: -85.685
bonds (distance) P-C4' energy: -88.321
flat angles C4'-P-C4' energy: -85.378
flat angles P-C4'-P energy: -59.123
tors. eta vs tors. theta energy: -127.338
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: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1328.847049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.847049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.847049 (E_RNA)
where:
Base-Base interactions energy: -925.707
where: short stacking energy: -383.776
Base-Backbone interact. energy: 0.724
local terms energy: -403.864182
where:
bonds (distance) C4'-P energy: -77.049
bonds (distance) P-C4' energy: -74.645
flat angles C4'-P-C4' energy: -74.903
flat angles P-C4'-P energy: -64.888
tors. eta vs tors. theta energy: -112.379
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: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1314.832497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.832497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.832497 (E_RNA)
where:
Base-Base interactions energy: -894.148
where: short stacking energy: -386.534
Base-Backbone interact. energy: -2.992
local terms energy: -417.693051
where:
bonds (distance) C4'-P energy: -74.682
bonds (distance) P-C4' energy: -80.894
flat angles C4'-P-C4' energy: -85.669
flat angles P-C4'-P energy: -61.429
tors. eta vs tors. theta energy: -115.018
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1254.127969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.127969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.127969 (E_RNA)
where:
Base-Base interactions energy: -841.609
where: short stacking energy: -365.744
Base-Backbone interact. energy: -2.481
local terms energy: -410.038301
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -79.819
flat angles C4'-P-C4' energy: -79.768
flat angles P-C4'-P energy: -64.155
tors. eta vs tors. theta energy: -116.907
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1157.675759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.675759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.675759 (E_RNA)
where:
Base-Base interactions energy: -757.891
where: short stacking energy: -340.698
Base-Backbone interact. energy: 0.959
local terms energy: -400.743871
where:
bonds (distance) C4'-P energy: -75.462
bonds (distance) P-C4' energy: -80.084
flat angles C4'-P-C4' energy: -80.579
flat angles P-C4'-P energy: -55.407
tors. eta vs tors. theta energy: -109.212
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: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1029.286512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.286512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.286512 (E_RNA)
where:
Base-Base interactions energy: -719.405
where: short stacking energy: -301.827
Base-Backbone interact. energy: 0.699
local terms energy: -310.580448
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -60.776
flat angles C4'-P-C4' energy: -73.217
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -86.287
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: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -748.851691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.851691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.851691 (E_RNA)
where:
Base-Base interactions energy: -450.255
where: short stacking energy: -203.446
Base-Backbone interact. energy: -1.295
local terms energy: -297.301620
where:
bonds (distance) C4'-P energy: -75.298
bonds (distance) P-C4' energy: -68.398
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -41.777
tors. eta vs tors. theta energy: -37.248
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: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -475.469505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.469505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.469505 (E_RNA)
where:
Base-Base interactions energy: -238.192
where: short stacking energy: -133.589
Base-Backbone interact. energy: 0.781
local terms energy: -238.058681
where:
bonds (distance) C4'-P energy: -79.574
bonds (distance) P-C4' energy: -70.657
flat angles C4'-P-C4' energy: -62.100
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -3.835
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: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -398.886653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.886653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.886653 (E_RNA)
where:
Base-Base interactions energy: -181.500
where: short stacking energy: -124.506
Base-Backbone interact. energy: -2.657
local terms energy: -214.729478
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -80.837
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -7.269
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: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -346.583265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.583265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.583265 (E_RNA)
where:
Base-Base interactions energy: -142.225
where: short stacking energy: -88.528
Base-Backbone interact. energy: 1.698
local terms energy: -206.055930
where:
bonds (distance) C4'-P energy: -67.832
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: 3.390
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: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1381.397493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.397493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.397493 (E_RNA)
where:
Base-Base interactions energy: -954.769
where: short stacking energy: -396.551
Base-Backbone interact. energy: -0.512
local terms energy: -426.116026
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -76.794
flat angles C4'-P-C4' energy: -92.648
flat angles P-C4'-P energy: -61.593
tors. eta vs tors. theta energy: -115.378
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: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1341.478045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.478045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.478045 (E_RNA)
where:
Base-Base interactions energy: -907.876
where: short stacking energy: -384.512
Base-Backbone interact. energy: -3.145
local terms energy: -430.457371
where:
bonds (distance) C4'-P energy: -74.773
bonds (distance) P-C4' energy: -81.824
flat angles C4'-P-C4' energy: -92.544
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -115.839
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: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1302.601353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.601353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.601353 (E_RNA)
where:
Base-Base interactions energy: -902.998
where: short stacking energy: -380.790
Base-Backbone interact. energy: -3.830
local terms energy: -395.773080
where:
bonds (distance) C4'-P energy: -80.354
bonds (distance) P-C4' energy: -55.286
flat angles C4'-P-C4' energy: -84.489
flat angles P-C4'-P energy: -62.409
tors. eta vs tors. theta energy: -113.234
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1216.930732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.930732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.930732 (E_RNA)
where:
Base-Base interactions energy: -808.620
where: short stacking energy: -367.068
Base-Backbone interact. energy: 0.939
local terms energy: -409.249189
where:
bonds (distance) C4'-P energy: -78.558
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -82.029
flat angles P-C4'-P energy: -60.347
tors. eta vs tors. theta energy: -115.377
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: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1144.139053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.139053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.139053 (E_RNA)
where:
Base-Base interactions energy: -761.893
where: short stacking energy: -347.722
Base-Backbone interact. energy: -0.943
local terms energy: -381.303255
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -71.110
flat angles C4'-P-C4' energy: -86.736
flat angles P-C4'-P energy: -57.227
tors. eta vs tors. theta energy: -100.865
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: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1039.363926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.363926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.363926 (E_RNA)
where:
Base-Base interactions energy: -698.754
where: short stacking energy: -294.092
Base-Backbone interact. energy: 1.383
local terms energy: -341.992750
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -75.765
flat angles C4'-P-C4' energy: -76.583
flat angles P-C4'-P energy: -48.596
tors. eta vs tors. theta energy: -83.162
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: 7, replica: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -804.625647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.625647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.625647 (E_RNA)
where:
Base-Base interactions energy: -482.066
where: short stacking energy: -222.687
Base-Backbone interact. energy: -1.603
local terms energy: -320.955775
where:
bonds (distance) C4'-P energy: -72.914
bonds (distance) P-C4' energy: -83.214
flat angles C4'-P-C4' energy: -73.530
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -42.919
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -520.380960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.380960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.380960 (E_RNA)
where:
Base-Base interactions energy: -286.033
where: short stacking energy: -173.832
Base-Backbone interact. energy: -1.264
local terms energy: -233.083815
where:
bonds (distance) C4'-P energy: -57.997
bonds (distance) P-C4' energy: -72.868
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -13.895
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: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -433.079641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.079641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.079641 (E_RNA)
where:
Base-Base interactions energy: -215.242
where: short stacking energy: -134.545
Base-Backbone interact. energy: 2.431
local terms energy: -220.268328
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -33.636
tors. eta vs tors. theta energy: -3.692
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: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -316.675985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.675985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.675985 (E_RNA)
where:
Base-Base interactions energy: -106.561
where: short stacking energy: -84.399
Base-Backbone interact. energy: -1.557
local terms energy: -208.557796
where:
bonds (distance) C4'-P energy: -67.139
bonds (distance) P-C4' energy: -72.258
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: 12.147
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: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1391.915098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.915098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.915098 (E_RNA)
where:
Base-Base interactions energy: -958.938
where: short stacking energy: -401.794
Base-Backbone interact. energy: -1.748
local terms energy: -431.228683
where:
bonds (distance) C4'-P energy: -77.335
bonds (distance) P-C4' energy: -82.326
flat angles C4'-P-C4' energy: -83.136
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -122.615
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1345.761341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.761341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.761341 (E_RNA)
where:
Base-Base interactions energy: -910.958
where: short stacking energy: -382.274
Base-Backbone interact. energy: -5.161
local terms energy: -429.642448
where:
bonds (distance) C4'-P energy: -84.913
bonds (distance) P-C4' energy: -87.716
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -57.958
tors. eta vs tors. theta energy: -113.467
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1253.758476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.758476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.758476 (E_RNA)
where:
Base-Base interactions energy: -843.134
where: short stacking energy: -352.450
Base-Backbone interact. energy: -1.289
local terms energy: -409.335417
where:
bonds (distance) C4'-P energy: -68.662
bonds (distance) P-C4' energy: -85.759
flat angles C4'-P-C4' energy: -86.522
flat angles P-C4'-P energy: -58.321
tors. eta vs tors. theta energy: -110.071
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: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1251.627839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.627839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.627839 (E_RNA)
where:
Base-Base interactions energy: -864.992
where: short stacking energy: -349.761
Base-Backbone interact. energy: -1.416
local terms energy: -385.219889
where:
bonds (distance) C4'-P energy: -70.524
bonds (distance) P-C4' energy: -67.207
flat angles C4'-P-C4' energy: -85.618
flat angles P-C4'-P energy: -61.299
tors. eta vs tors. theta energy: -100.571
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: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1154.204613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.204613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.204613 (E_RNA)
where:
Base-Base interactions energy: -768.476
where: short stacking energy: -321.874
Base-Backbone interact. energy: -0.466
local terms energy: -385.262277
where:
bonds (distance) C4'-P energy: -71.490
bonds (distance) P-C4' energy: -73.611
flat angles C4'-P-C4' energy: -83.717
flat angles P-C4'-P energy: -58.991
tors. eta vs tors. theta energy: -97.454
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: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1048.407325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.407325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.407325 (E_RNA)
where:
Base-Base interactions energy: -698.281
where: short stacking energy: -289.732
Base-Backbone interact. energy: 4.358
local terms energy: -354.484511
where:
bonds (distance) C4'-P energy: -75.218
bonds (distance) P-C4' energy: -70.890
flat angles C4'-P-C4' energy: -74.091
flat angles P-C4'-P energy: -47.878
tors. eta vs tors. theta energy: -86.407
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: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -784.497297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.497297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.497297 (E_RNA)
where:
Base-Base interactions energy: -484.411
where: short stacking energy: -212.007
Base-Backbone interact. energy: 1.514
local terms energy: -301.599739
where:
bonds (distance) C4'-P energy: -68.510
bonds (distance) P-C4' energy: -72.835
flat angles C4'-P-C4' energy: -76.584
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: -42.758
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: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -518.096351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.096351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.096351 (E_RNA)
where:
Base-Base interactions energy: -281.232
where: short stacking energy: -149.072
Base-Backbone interact. energy: 1.043
local terms energy: -237.907385
where:
bonds (distance) C4'-P energy: -65.055
bonds (distance) P-C4' energy: -41.913
flat angles C4'-P-C4' energy: -78.932
flat angles P-C4'-P energy: -36.290
tors. eta vs tors. theta energy: -15.718
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: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -349.712446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.712446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.712446 (E_RNA)
where:
Base-Base interactions energy: -111.982
where: short stacking energy: -99.837
Base-Backbone interact. energy: -1.400
local terms energy: -236.329999
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -73.351
flat angles C4'-P-C4' energy: -66.845
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -0.182
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: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -354.511489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.511489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.511489 (E_RNA)
where:
Base-Base interactions energy: -159.829
where: short stacking energy: -83.943
Base-Backbone interact. energy: 4.721
local terms energy: -199.402957
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -60.052
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -29.738
tors. eta vs tors. theta energy: 16.263
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: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1385.043784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.043784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.043784 (E_RNA)
where:
Base-Base interactions energy: -941.177
where: short stacking energy: -393.126
Base-Backbone interact. energy: 1.882
local terms energy: -445.749690
where:
bonds (distance) C4'-P energy: -84.408
bonds (distance) P-C4' energy: -83.110
flat angles C4'-P-C4' energy: -87.919
flat angles P-C4'-P energy: -65.560
tors. eta vs tors. theta energy: -124.752
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: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1347.468701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.468701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.468701 (E_RNA)
where:
Base-Base interactions energy: -920.039
where: short stacking energy: -378.607
Base-Backbone interact. energy: -2.552
local terms energy: -424.877234
where:
bonds (distance) C4'-P energy: -79.610
bonds (distance) P-C4' energy: -84.180
flat angles C4'-P-C4' energy: -85.859
flat angles P-C4'-P energy: -60.404
tors. eta vs tors. theta energy: -114.825
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: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1232.257369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.257369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.257369 (E_RNA)
where:
Base-Base interactions energy: -834.392
where: short stacking energy: -352.155
Base-Backbone interact. energy: -0.760
local terms energy: -397.105193
where:
bonds (distance) C4'-P energy: -73.159
bonds (distance) P-C4' energy: -73.020
flat angles C4'-P-C4' energy: -86.176
flat angles P-C4'-P energy: -54.946
tors. eta vs tors. theta energy: -109.804
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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1191.444371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.444371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.444371 (E_RNA)
where:
Base-Base interactions energy: -794.461
where: short stacking energy: -336.107
Base-Backbone interact. energy: -1.565
local terms energy: -395.418899
where:
bonds (distance) C4'-P energy: -74.492
bonds (distance) P-C4' energy: -74.143
flat angles C4'-P-C4' energy: -80.474
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -105.231
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1254.752175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.752175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.752175 (E_RNA)
where:
Base-Base interactions energy: -852.624
where: short stacking energy: -353.985
Base-Backbone interact. energy: -1.961
local terms energy: -400.167557
where:
bonds (distance) C4'-P energy: -65.533
bonds (distance) P-C4' energy: -76.278
flat angles C4'-P-C4' energy: -88.304
flat angles P-C4'-P energy: -52.480
tors. eta vs tors. theta energy: -117.572
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -984.093235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.093235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.093235 (E_RNA)
where:
Base-Base interactions energy: -636.112
where: short stacking energy: -260.547
Base-Backbone interact. energy: 0.805
local terms energy: -348.785729
where:
bonds (distance) C4'-P energy: -64.701
bonds (distance) P-C4' energy: -74.980
flat angles C4'-P-C4' energy: -74.925
flat angles P-C4'-P energy: -53.016
tors. eta vs tors. theta energy: -81.163
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: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -827.766000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.766000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.766000 (E_RNA)
where:
Base-Base interactions energy: -511.916
where: short stacking energy: -233.260
Base-Backbone interact. energy: -0.834
local terms energy: -315.015680
where:
bonds (distance) C4'-P energy: -62.655
bonds (distance) P-C4' energy: -70.706
flat angles C4'-P-C4' energy: -79.233
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -53.605
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: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -521.252619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.252619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.252619 (E_RNA)
where:
Base-Base interactions energy: -298.503
where: short stacking energy: -167.751
Base-Backbone interact. energy: 0.884
local terms energy: -223.632943
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -53.254
flat angles C4'-P-C4' energy: -66.692
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -15.770
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: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -338.304005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.304005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.304005 (E_RNA)
where:
Base-Base interactions energy: -110.017
where: short stacking energy: -96.115
Base-Backbone interact. energy: 0.295
local terms energy: -228.582055
where:
bonds (distance) C4'-P energy: -68.730
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -51.516
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: 3.721
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -320.934745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.934745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.934745 (E_RNA)
where:
Base-Base interactions energy: -100.962
where: short stacking energy: -89.098
Base-Backbone interact. energy: 3.588
local terms energy: -223.561495
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -77.006
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: 14.182
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: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1359.891568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.891568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.891568 (E_RNA)
where:
Base-Base interactions energy: -928.960
where: short stacking energy: -384.278
Base-Backbone interact. energy: -1.575
local terms energy: -429.356301
where:
bonds (distance) C4'-P energy: -93.067
bonds (distance) P-C4' energy: -72.560
flat angles C4'-P-C4' energy: -88.159
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: -112.296
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: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1367.417810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.417810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.417810 (E_RNA)
where:
Base-Base interactions energy: -932.423
where: short stacking energy: -387.221
Base-Backbone interact. energy: -0.953
local terms energy: -434.042615
where:
bonds (distance) C4'-P energy: -77.991
bonds (distance) P-C4' energy: -82.201
flat angles C4'-P-C4' energy: -85.677
flat angles P-C4'-P energy: -63.036
tors. eta vs tors. theta energy: -125.137
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: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1219.475251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.475251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.475251 (E_RNA)
where:
Base-Base interactions energy: -827.125
where: short stacking energy: -322.969
Base-Backbone interact. energy: -3.339
local terms energy: -389.011821
where:
bonds (distance) C4'-P energy: -76.625
bonds (distance) P-C4' energy: -75.846
flat angles C4'-P-C4' energy: -77.644
flat angles P-C4'-P energy: -58.706
tors. eta vs tors. theta energy: -100.190
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: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1212.744953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.744953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.744953 (E_RNA)
where:
Base-Base interactions energy: -802.226
where: short stacking energy: -352.547
Base-Backbone interact. energy: -0.365
local terms energy: -410.153494
where:
bonds (distance) C4'-P energy: -79.476
bonds (distance) P-C4' energy: -82.874
flat angles C4'-P-C4' energy: -79.090
flat angles P-C4'-P energy: -56.974
tors. eta vs tors. theta energy: -111.740
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: 218
Temperature: 1.100000
Total energy: -1234.015890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.015890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.015890 (E_RNA)
where:
Base-Base interactions energy: -834.407
where: short stacking energy: -345.555
Base-Backbone interact. energy: -2.713
local terms energy: -396.895543
where:
bonds (distance) C4'-P energy: -78.481
bonds (distance) P-C4' energy: -74.190
flat angles C4'-P-C4' energy: -93.013
flat angles P-C4'-P energy: -49.372
tors. eta vs tors. theta energy: -101.840
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: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -979.397818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.397818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.397818 (E_RNA)
where:
Base-Base interactions energy: -644.370
where: short stacking energy: -247.533
Base-Backbone interact. energy: -2.918
local terms energy: -332.109845
where:
bonds (distance) C4'-P energy: -69.751
bonds (distance) P-C4' energy: -75.977
flat angles C4'-P-C4' energy: -68.882
flat angles P-C4'-P energy: -48.228
tors. eta vs tors. theta energy: -69.272
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: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -850.999503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.999503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.999503 (E_RNA)
where:
Base-Base interactions energy: -527.022
where: short stacking energy: -232.469
Base-Backbone interact. energy: -1.010
local terms energy: -322.967345
where:
bonds (distance) C4'-P energy: -80.101
bonds (distance) P-C4' energy: -66.486
flat angles C4'-P-C4' energy: -72.418
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -59.572
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: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -565.406097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.406097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.406097 (E_RNA)
where:
Base-Base interactions energy: -295.070
where: short stacking energy: -140.236
Base-Backbone interact. energy: -1.150
local terms energy: -269.186717
where:
bonds (distance) C4'-P energy: -68.867
bonds (distance) P-C4' energy: -74.960
flat angles C4'-P-C4' energy: -64.064
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: -21.967
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: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -340.567781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.567781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.567781 (E_RNA)
where:
Base-Base interactions energy: -124.850
where: short stacking energy: -84.488
Base-Backbone interact. energy: -1.763
local terms energy: -213.954583
where:
bonds (distance) C4'-P energy: -70.075
bonds (distance) P-C4' energy: -64.759
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: 14.033
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: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -304.692322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.692322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.692322 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -69.303
Base-Backbone interact. energy: 2.075
local terms energy: -193.665023
where:
bonds (distance) C4'-P energy: -66.738
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -46.906
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: 23.492
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: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1355.716787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.716787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.716787 (E_RNA)
where:
Base-Base interactions energy: -916.419
where: short stacking energy: -383.759
Base-Backbone interact. energy: -3.304
local terms energy: -435.994031
where:
bonds (distance) C4'-P energy: -79.696
bonds (distance) P-C4' energy: -85.515
flat angles C4'-P-C4' energy: -97.433
flat angles P-C4'-P energy: -60.169
tors. eta vs tors. theta energy: -113.181
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: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1353.576823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.576823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.576823 (E_RNA)
where:
Base-Base interactions energy: -937.538
where: short stacking energy: -373.613
Base-Backbone interact. energy: 0.630
local terms energy: -416.668745
where:
bonds (distance) C4'-P energy: -70.160
bonds (distance) P-C4' energy: -86.354
flat angles C4'-P-C4' energy: -89.466
flat angles P-C4'-P energy: -52.834
tors. eta vs tors. theta energy: -117.854
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: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1227.923998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.923998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.923998 (E_RNA)
where:
Base-Base interactions energy: -829.301
where: short stacking energy: -356.094
Base-Backbone interact. energy: -0.615
local terms energy: -398.007746
where:
bonds (distance) C4'-P energy: -68.359
bonds (distance) P-C4' energy: -73.649
flat angles C4'-P-C4' energy: -91.311
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -109.394
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: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1246.446504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.446504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.446504 (E_RNA)
where:
Base-Base interactions energy: -850.521
where: short stacking energy: -358.389
Base-Backbone interact. energy: 1.194
local terms energy: -397.119519
where:
bonds (distance) C4'-P energy: -61.806
bonds (distance) P-C4' energy: -76.761
flat angles C4'-P-C4' energy: -86.874
flat angles P-C4'-P energy: -61.952
tors. eta vs tors. theta energy: -109.727
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: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1155.685456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.685456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.685456 (E_RNA)
where:
Base-Base interactions energy: -772.130
where: short stacking energy: -344.011
Base-Backbone interact. energy: -0.415
local terms energy: -383.140427
where:
bonds (distance) C4'-P energy: -61.386
bonds (distance) P-C4' energy: -76.907
flat angles C4'-P-C4' energy: -82.881
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -111.815
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: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -963.750450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.750450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.750450 (E_RNA)
where:
Base-Base interactions energy: -647.932
where: short stacking energy: -269.655
Base-Backbone interact. energy: 0.869
local terms energy: -316.687006
where:
bonds (distance) C4'-P energy: -64.925
bonds (distance) P-C4' energy: -71.927
flat angles C4'-P-C4' energy: -75.119
flat angles P-C4'-P energy: -42.701
tors. eta vs tors. theta energy: -62.015
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -861.596022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.596022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.596022 (E_RNA)
where:
Base-Base interactions energy: -547.466
where: short stacking energy: -235.165
Base-Backbone interact. energy: -1.289
local terms energy: -312.841197
where:
bonds (distance) C4'-P energy: -69.722
bonds (distance) P-C4' energy: -73.752
flat angles C4'-P-C4' energy: -78.219
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -52.809
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: 219
Temperature: 1.250000
Total energy: -530.630479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.630479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.630479 (E_RNA)
where:
Base-Base interactions energy: -260.722
where: short stacking energy: -155.928
Base-Backbone interact. energy: 1.178
local terms energy: -271.085896
where:
bonds (distance) C4'-P energy: -63.806
bonds (distance) P-C4' energy: -79.011
flat angles C4'-P-C4' energy: -74.871
flat angles P-C4'-P energy: -34.919
tors. eta vs tors. theta energy: -18.479
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: 219
Temperature: 1.300000
Total energy: -355.741529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.741529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.741529 (E_RNA)
where:
Base-Base interactions energy: -135.315
where: short stacking energy: -93.611
Base-Backbone interact. energy: 0.397
local terms energy: -220.823612
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -79.435
flat angles C4'-P-C4' energy: -53.332
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: 12.013
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: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -328.336982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.336982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.336982 (E_RNA)
where:
Base-Base interactions energy: -132.638
where: short stacking energy: -81.593
Base-Backbone interact. energy: 0.841
local terms energy: -196.539790
where:
bonds (distance) C4'-P energy: -54.415
bonds (distance) P-C4' energy: -67.235
flat angles C4'-P-C4' energy: -62.826
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: 7.210
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: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1364.801615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.801615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.801615 (E_RNA)
where:
Base-Base interactions energy: -929.418
where: short stacking energy: -387.845
Base-Backbone interact. energy: 0.411
local terms energy: -435.794600
where:
bonds (distance) C4'-P energy: -77.707
bonds (distance) P-C4' energy: -91.142
flat angles C4'-P-C4' energy: -88.528
flat angles P-C4'-P energy: -66.341
tors. eta vs tors. theta energy: -112.077
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: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1368.837196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.837196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.837196 (E_RNA)
where:
Base-Base interactions energy: -945.231
where: short stacking energy: -398.060
Base-Backbone interact. energy: 2.293
local terms energy: -425.899194
where:
bonds (distance) C4'-P energy: -79.462
bonds (distance) P-C4' energy: -80.735
flat angles C4'-P-C4' energy: -88.033
flat angles P-C4'-P energy: -59.800
tors. eta vs tors. theta energy: -117.869
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1279.098736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.098736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.098736 (E_RNA)
where:
Base-Base interactions energy: -867.220
where: short stacking energy: -360.621
Base-Backbone interact. energy: 1.602
local terms energy: -413.480598
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -73.322
flat angles C4'-P-C4' energy: -86.470
flat angles P-C4'-P energy: -56.930
tors. eta vs tors. theta energy: -112.774
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: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1214.361410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.361410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.361410 (E_RNA)
where:
Base-Base interactions energy: -819.633
where: short stacking energy: -365.369
Base-Backbone interact. energy: -1.734
local terms energy: -392.994547
where:
bonds (distance) C4'-P energy: -68.093
bonds (distance) P-C4' energy: -77.997
flat angles C4'-P-C4' energy: -84.913
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -111.671
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: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1134.489943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.489943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.489943 (E_RNA)
where:
Base-Base interactions energy: -747.278
where: short stacking energy: -336.398
Base-Backbone interact. energy: -0.345
local terms energy: -386.866672
where:
bonds (distance) C4'-P energy: -70.148
bonds (distance) P-C4' energy: -70.538
flat angles C4'-P-C4' energy: -84.554
flat angles P-C4'-P energy: -59.971
tors. eta vs tors. theta energy: -101.655
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: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -980.851443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.851443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.851443 (E_RNA)
where:
Base-Base interactions energy: -641.247
where: short stacking energy: -264.231
Base-Backbone interact. energy: -0.777
local terms energy: -338.828021
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -72.153
flat angles C4'-P-C4' energy: -79.226
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -68.652
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: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -890.914166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.914166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.914166 (E_RNA)
where:
Base-Base interactions energy: -573.727
where: short stacking energy: -232.333
Base-Backbone interact. energy: -1.536
local terms energy: -315.651149
where:
bonds (distance) C4'-P energy: -68.540
bonds (distance) P-C4' energy: -60.981
flat angles C4'-P-C4' energy: -73.230
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: -68.187
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: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -477.271570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.271570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.271570 (E_RNA)
where:
Base-Base interactions energy: -226.797
where: short stacking energy: -123.776
Base-Backbone interact. energy: -1.307
local terms energy: -249.167946
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -73.966
flat angles C4'-P-C4' energy: -59.255
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -18.766
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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -361.042785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.042785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.042785 (E_RNA)
where:
Base-Base interactions energy: -119.885
where: short stacking energy: -88.830
Base-Backbone interact. energy: -1.764
local terms energy: -239.393711
where:
bonds (distance) C4'-P energy: -70.673
bonds (distance) P-C4' energy: -86.308
flat angles C4'-P-C4' energy: -66.046
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: 19.358
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: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -309.097565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.097565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.097565 (E_RNA)
where:
Base-Base interactions energy: -99.879
where: short stacking energy: -80.183
Base-Backbone interact. energy: -2.009
local terms energy: -207.209332
where:
bonds (distance) C4'-P energy: -68.059
bonds (distance) P-C4' energy: -59.062
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: 8.229
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: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1360.980390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.980390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.980390 (E_RNA)
where:
Base-Base interactions energy: -932.575
where: short stacking energy: -371.177
Base-Backbone interact. energy: -2.044
local terms energy: -426.361327
where:
bonds (distance) C4'-P energy: -73.246
bonds (distance) P-C4' energy: -79.028
flat angles C4'-P-C4' energy: -93.907
flat angles P-C4'-P energy: -67.925
tors. eta vs tors. theta energy: -112.256
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: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1354.651701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.651701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.651701 (E_RNA)
where:
Base-Base interactions energy: -938.478
where: short stacking energy: -389.065
Base-Backbone interact. energy: 0.728
local terms energy: -416.901049
where:
bonds (distance) C4'-P energy: -75.723
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -60.052
tors. eta vs tors. theta energy: -115.122
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: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1270.642878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.642878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.642878 (E_RNA)
where:
Base-Base interactions energy: -856.102
where: short stacking energy: -372.541
Base-Backbone interact. energy: -4.550
local terms energy: -409.991215
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -77.212
flat angles C4'-P-C4' energy: -83.196
flat angles P-C4'-P energy: -49.967
tors. eta vs tors. theta energy: -120.367
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: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1205.160355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.160355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.160355 (E_RNA)
where:
Base-Base interactions energy: -792.083
where: short stacking energy: -343.047
Base-Backbone interact. energy: -0.977
local terms energy: -412.099872
where:
bonds (distance) C4'-P energy: -86.451
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -78.803
flat angles P-C4'-P energy: -63.619
tors. eta vs tors. theta energy: -111.712
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: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1134.951631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.951631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.951631 (E_RNA)
where:
Base-Base interactions energy: -761.714
where: short stacking energy: -328.714
Base-Backbone interact. energy: 3.358
local terms energy: -376.595079
where:
bonds (distance) C4'-P energy: -70.584
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -72.666
flat angles P-C4'-P energy: -60.133
tors. eta vs tors. theta energy: -102.216
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: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -981.656949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.656949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.656949 (E_RNA)
where:
Base-Base interactions energy: -631.236
where: short stacking energy: -267.253
Base-Backbone interact. energy: -1.264
local terms energy: -349.156592
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -68.472
flat angles C4'-P-C4' energy: -79.264
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -78.478
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: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -882.748236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.748236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.748236 (E_RNA)
where:
Base-Base interactions energy: -592.180
where: short stacking energy: -261.187
Base-Backbone interact. energy: 2.587
local terms energy: -293.154979
where:
bonds (distance) C4'-P energy: -61.970
bonds (distance) P-C4' energy: -65.054
flat angles C4'-P-C4' energy: -60.204
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -63.613
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: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -478.033487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.033487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.033487 (E_RNA)
where:
Base-Base interactions energy: -233.200
where: short stacking energy: -132.385
Base-Backbone interact. energy: -0.887
local terms energy: -243.946029
where:
bonds (distance) C4'-P energy: -70.031
bonds (distance) P-C4' energy: -77.617
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -1.762
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -392.660972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.660972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.660972 (E_RNA)
where:
Base-Base interactions energy: -188.943
where: short stacking energy: -124.289
Base-Backbone interact. energy: 2.141
local terms energy: -205.858976
where:
bonds (distance) C4'-P energy: -59.402
bonds (distance) P-C4' energy: -72.902
flat angles C4'-P-C4' energy: -61.502
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: 7.689
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -321.825418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.825418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.825418 (E_RNA)
where:
Base-Base interactions energy: -102.741
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.084
local terms energy: -218.999890
where:
bonds (distance) C4'-P energy: -62.339
bonds (distance) P-C4' energy: -72.489
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -17.976
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: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1372.818292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.818292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.818292 (E_RNA)
where:
Base-Base interactions energy: -929.501
where: short stacking energy: -384.873
Base-Backbone interact. energy: -2.428
local terms energy: -440.888820
where:
bonds (distance) C4'-P energy: -80.093
bonds (distance) P-C4' energy: -86.301
flat angles C4'-P-C4' energy: -90.641
flat angles P-C4'-P energy: -66.926
tors. eta vs tors. theta energy: -116.929
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: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1342.746448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.746448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.746448 (E_RNA)
where:
Base-Base interactions energy: -919.681
where: short stacking energy: -372.789
Base-Backbone interact. energy: -1.090
local terms energy: -421.975033
where:
bonds (distance) C4'-P energy: -68.293
bonds (distance) P-C4' energy: -83.129
flat angles C4'-P-C4' energy: -87.852
flat angles P-C4'-P energy: -57.939
tors. eta vs tors. theta energy: -124.763
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: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1262.378536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.378536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.378536 (E_RNA)
where:
Base-Base interactions energy: -873.608
where: short stacking energy: -366.821
Base-Backbone interact. energy: -1.513
local terms energy: -387.257088
where:
bonds (distance) C4'-P energy: -70.305
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -107.769
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: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1233.706424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.706424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.706424 (E_RNA)
where:
Base-Base interactions energy: -824.074
where: short stacking energy: -358.068
Base-Backbone interact. energy: -1.646
local terms energy: -407.987273
where:
bonds (distance) C4'-P energy: -74.442
bonds (distance) P-C4' energy: -85.153
flat angles C4'-P-C4' energy: -83.831
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -113.882
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: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1079.593010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.593010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.593010 (E_RNA)
where:
Base-Base interactions energy: -696.583
where: short stacking energy: -307.902
Base-Backbone interact. energy: 2.805
local terms energy: -385.814563
where:
bonds (distance) C4'-P energy: -71.640
bonds (distance) P-C4' energy: -76.992
flat angles C4'-P-C4' energy: -84.743
flat angles P-C4'-P energy: -55.093
tors. eta vs tors. theta energy: -97.347
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: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -985.365831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.365831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.365831 (E_RNA)
where:
Base-Base interactions energy: -660.226
where: short stacking energy: -300.610
Base-Backbone interact. energy: -2.672
local terms energy: -322.468310
where:
bonds (distance) C4'-P energy: -62.017
bonds (distance) P-C4' energy: -62.606
flat angles C4'-P-C4' energy: -73.439
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -84.226
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: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -849.077036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.077036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.077036 (E_RNA)
where:
Base-Base interactions energy: -542.092
where: short stacking energy: -218.257
Base-Backbone interact. energy: -0.106
local terms energy: -306.878918
where:
bonds (distance) C4'-P energy: -72.789
bonds (distance) P-C4' energy: -78.096
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -31.486
tors. eta vs tors. theta energy: -53.318
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: 222
Temperature: 1.250000
Total energy: -565.950352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.950352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.950352 (E_RNA)
where:
Base-Base interactions energy: -295.601
where: short stacking energy: -163.497
Base-Backbone interact. energy: 1.094
local terms energy: -271.442809
where:
bonds (distance) C4'-P energy: -64.996
bonds (distance) P-C4' energy: -65.033
flat angles C4'-P-C4' energy: -51.408
flat angles P-C4'-P energy: -59.518
tors. eta vs tors. theta energy: -30.487
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: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -362.421745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.421745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.421745 (E_RNA)
where:
Base-Base interactions energy: -142.647
where: short stacking energy: -66.565
Base-Backbone interact. energy: -2.766
local terms energy: -217.008250
where:
bonds (distance) C4'-P energy: -69.531
bonds (distance) P-C4' energy: -54.096
flat angles C4'-P-C4' energy: -70.228
flat angles P-C4'-P energy: -35.071
tors. eta vs tors. theta energy: 11.917
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: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -299.499124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.499124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.499124 (E_RNA)
where:
Base-Base interactions energy: -86.976
where: short stacking energy: -76.766
Base-Backbone interact. energy: -1.077
local terms energy: -211.446354
where:
bonds (distance) C4'-P energy: -72.495
bonds (distance) P-C4' energy: -71.058
flat angles C4'-P-C4' energy: -48.237
flat angles P-C4'-P energy: -37.475
tors. eta vs tors. theta energy: 17.819
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: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1387.122678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.122678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.122678 (E_RNA)
where:
Base-Base interactions energy: -964.676
where: short stacking energy: -398.524
Base-Backbone interact. energy: -3.717
local terms energy: -418.729552
where:
bonds (distance) C4'-P energy: -76.147
bonds (distance) P-C4' energy: -81.970
flat angles C4'-P-C4' energy: -91.668
flat angles P-C4'-P energy: -51.207
tors. eta vs tors. theta energy: -117.738
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: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1355.645070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.645070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.645070 (E_RNA)
where:
Base-Base interactions energy: -917.002
where: short stacking energy: -389.317
Base-Backbone interact. energy: 0.254
local terms energy: -438.896647
where:
bonds (distance) C4'-P energy: -78.627
bonds (distance) P-C4' energy: -87.744
flat angles C4'-P-C4' energy: -94.150
flat angles P-C4'-P energy: -61.432
tors. eta vs tors. theta energy: -116.943
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: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1268.397434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.397434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.397434 (E_RNA)
where:
Base-Base interactions energy: -876.757
where: short stacking energy: -357.984
Base-Backbone interact. energy: -3.633
local terms energy: -388.007499
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -72.746
flat angles C4'-P-C4' energy: -86.455
flat angles P-C4'-P energy: -58.369
tors. eta vs tors. theta energy: -94.882
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: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1207.638366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.638366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.638366 (E_RNA)
where:
Base-Base interactions energy: -809.426
where: short stacking energy: -352.885
Base-Backbone interact. energy: -0.589
local terms energy: -397.623505
where:
bonds (distance) C4'-P energy: -76.132
bonds (distance) P-C4' energy: -73.025
flat angles C4'-P-C4' energy: -82.071
flat angles P-C4'-P energy: -57.455
tors. eta vs tors. theta energy: -108.940
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: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1112.250710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.250710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.250710 (E_RNA)
where:
Base-Base interactions energy: -738.634
where: short stacking energy: -330.514
Base-Backbone interact. energy: 0.080
local terms energy: -373.696640
where:
bonds (distance) C4'-P energy: -73.490
bonds (distance) P-C4' energy: -65.749
flat angles C4'-P-C4' energy: -77.315
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -92.898
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: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1012.701093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.701093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.701093 (E_RNA)
where:
Base-Base interactions energy: -646.901
where: short stacking energy: -272.472
Base-Backbone interact. energy: 3.841
local terms energy: -369.641233
where:
bonds (distance) C4'-P energy: -80.358
bonds (distance) P-C4' energy: -77.806
flat angles C4'-P-C4' energy: -82.789
flat angles P-C4'-P energy: -54.805
tors. eta vs tors. theta energy: -73.884
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: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -847.452082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.452082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.452082 (E_RNA)
where:
Base-Base interactions energy: -548.780
where: short stacking energy: -228.344
Base-Backbone interact. energy: 1.959
local terms energy: -300.631100
where:
bonds (distance) C4'-P energy: -60.698
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -72.288
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -56.604
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: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -576.782480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.782480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.782480 (E_RNA)
where:
Base-Base interactions energy: -327.368
where: short stacking energy: -164.363
Base-Backbone interact. energy: 2.130
local terms energy: -251.544426
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -65.008
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -49.096
tors. eta vs tors. theta energy: -11.504
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -314.059662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.059662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.059662 (E_RNA)
where:
Base-Base interactions energy: -120.182
where: short stacking energy: -93.209
Base-Backbone interact. energy: 3.586
local terms energy: -197.463456
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -77.697
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -40.114
tors. eta vs tors. theta energy: 20.061
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -304.696070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.696070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.696070 (E_RNA)
where:
Base-Base interactions energy: -92.546
where: short stacking energy: -88.716
Base-Backbone interact. energy: 0.832
local terms energy: -212.982359
where:
bonds (distance) C4'-P energy: -65.140
bonds (distance) P-C4' energy: -65.143
flat angles C4'-P-C4' energy: -54.614
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: 9.309
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: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1377.095545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.095545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.095545 (E_RNA)
where:
Base-Base interactions energy: -946.858
where: short stacking energy: -390.895
Base-Backbone interact. energy: -2.898
local terms energy: -427.339946
where:
bonds (distance) C4'-P energy: -76.599
bonds (distance) P-C4' energy: -79.226
flat angles C4'-P-C4' energy: -89.850
flat angles P-C4'-P energy: -62.949
tors. eta vs tors. theta energy: -118.716
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: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1353.586328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.586328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.586328 (E_RNA)
where:
Base-Base interactions energy: -936.381
where: short stacking energy: -379.821
Base-Backbone interact. energy: -1.060
local terms energy: -416.145451
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -85.195
flat angles C4'-P-C4' energy: -92.497
flat angles P-C4'-P energy: -58.298
tors. eta vs tors. theta energy: -117.262
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: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1261.867308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.867308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.867308 (E_RNA)
where:
Base-Base interactions energy: -878.081
where: short stacking energy: -351.796
Base-Backbone interact. energy: -1.580
local terms energy: -382.206310
where:
bonds (distance) C4'-P energy: -78.757
bonds (distance) P-C4' energy: -78.631
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -102.720
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: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1208.293695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.293695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.293695 (E_RNA)
where:
Base-Base interactions energy: -817.862
where: short stacking energy: -358.917
Base-Backbone interact. energy: -0.345
local terms energy: -390.087509
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -78.866
flat angles C4'-P-C4' energy: -84.352
flat angles P-C4'-P energy: -53.355
tors. eta vs tors. theta energy: -116.404
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: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1150.134767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.134767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.134767 (E_RNA)
where:
Base-Base interactions energy: -765.465
where: short stacking energy: -346.503
Base-Backbone interact. energy: -1.296
local terms energy: -383.373666
where:
bonds (distance) C4'-P energy: -69.367
bonds (distance) P-C4' energy: -62.086
flat angles C4'-P-C4' energy: -82.992
flat angles P-C4'-P energy: -59.185
tors. eta vs tors. theta energy: -109.744
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1003.944138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.944138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.944138 (E_RNA)
where:
Base-Base interactions energy: -671.287
where: short stacking energy: -271.767
Base-Backbone interact. energy: -0.371
local terms energy: -332.286582
where:
bonds (distance) C4'-P energy: -72.319
bonds (distance) P-C4' energy: -60.554
flat angles C4'-P-C4' energy: -67.168
flat angles P-C4'-P energy: -58.418
tors. eta vs tors. theta energy: -73.828
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: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -831.853732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.853732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.853732 (E_RNA)
where:
Base-Base interactions energy: -520.374
where: short stacking energy: -235.196
Base-Backbone interact. energy: -0.888
local terms energy: -310.591642
where:
bonds (distance) C4'-P energy: -73.128
bonds (distance) P-C4' energy: -73.468
flat angles C4'-P-C4' energy: -62.060
flat angles P-C4'-P energy: -41.905
tors. eta vs tors. theta energy: -60.031
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: 224
Temperature: 1.250000
Total energy: -563.625070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.625070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.625070 (E_RNA)
where:
Base-Base interactions energy: -303.318
where: short stacking energy: -145.333
Base-Backbone interact. energy: -0.593
local terms energy: -259.714657
where:
bonds (distance) C4'-P energy: -67.595
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -68.785
flat angles P-C4'-P energy: -49.840
tors. eta vs tors. theta energy: -18.572
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -373.693401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.693401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.693401 (E_RNA)
where:
Base-Base interactions energy: -138.883
where: short stacking energy: -105.143
Base-Backbone interact. energy: 3.234
local terms energy: -238.044318
where:
bonds (distance) C4'-P energy: -69.063
bonds (distance) P-C4' energy: -76.765
flat angles C4'-P-C4' energy: -53.223
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: 5.721
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: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -303.972227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.972227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.972227 (E_RNA)
where:
Base-Base interactions energy: -98.550
where: short stacking energy: -80.905
Base-Backbone interact. energy: 1.163
local terms energy: -206.585120
where:
bonds (distance) C4'-P energy: -71.435
bonds (distance) P-C4' energy: -75.202
flat angles C4'-P-C4' energy: -54.428
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: 19.891
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1369.081532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.081532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.081532 (E_RNA)
where:
Base-Base interactions energy: -948.601
where: short stacking energy: -403.798
Base-Backbone interact. energy: -0.235
local terms energy: -420.245291
where:
bonds (distance) C4'-P energy: -77.027
bonds (distance) P-C4' energy: -81.625
flat angles C4'-P-C4' energy: -85.044
flat angles P-C4'-P energy: -63.657
tors. eta vs tors. theta energy: -112.893
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: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1366.484141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.484141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.484141 (E_RNA)
where:
Base-Base interactions energy: -923.748
where: short stacking energy: -401.736
Base-Backbone interact. energy: -0.547
local terms energy: -442.189367
where:
bonds (distance) C4'-P energy: -80.675
bonds (distance) P-C4' energy: -83.630
flat angles C4'-P-C4' energy: -97.334
flat angles P-C4'-P energy: -59.414
tors. eta vs tors. theta energy: -121.135
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: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1270.230893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.230893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.230893 (E_RNA)
where:
Base-Base interactions energy: -864.886
where: short stacking energy: -365.642
Base-Backbone interact. energy: -4.391
local terms energy: -400.954322
where:
bonds (distance) C4'-P energy: -78.057
bonds (distance) P-C4' energy: -88.657
flat angles C4'-P-C4' energy: -74.354
flat angles P-C4'-P energy: -50.085
tors. eta vs tors. theta energy: -109.801
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: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1210.752461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.752461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.752461 (E_RNA)
where:
Base-Base interactions energy: -820.254
where: short stacking energy: -333.318
Base-Backbone interact. energy: -0.324
local terms energy: -390.174961
where:
bonds (distance) C4'-P energy: -71.523
bonds (distance) P-C4' energy: -72.684
flat angles C4'-P-C4' energy: -86.957
flat angles P-C4'-P energy: -59.060
tors. eta vs tors. theta energy: -99.950
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: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1159.927606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.927606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.927606 (E_RNA)
where:
Base-Base interactions energy: -777.784
where: short stacking energy: -349.943
Base-Backbone interact. energy: -1.508
local terms energy: -380.635956
where:
bonds (distance) C4'-P energy: -72.341
bonds (distance) P-C4' energy: -77.454
flat angles C4'-P-C4' energy: -83.164
flat angles P-C4'-P energy: -40.822
tors. eta vs tors. theta energy: -106.855
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: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -996.915647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.915647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.915647 (E_RNA)
where:
Base-Base interactions energy: -671.667
where: short stacking energy: -287.237
Base-Backbone interact. energy: 0.242
local terms energy: -325.489952
where:
bonds (distance) C4'-P energy: -62.046
bonds (distance) P-C4' energy: -62.698
flat angles C4'-P-C4' energy: -82.051
flat angles P-C4'-P energy: -46.879
tors. eta vs tors. theta energy: -71.815
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: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -816.333406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.333406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.333406 (E_RNA)
where:
Base-Base interactions energy: -531.371
where: short stacking energy: -214.887
Base-Backbone interact. energy: 0.771
local terms energy: -285.733520
where:
bonds (distance) C4'-P energy: -64.353
bonds (distance) P-C4' energy: -73.336
flat angles C4'-P-C4' energy: -65.064
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -52.403
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: 225
Temperature: 1.250000
Total energy: -531.854280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.854280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.854280 (E_RNA)
where:
Base-Base interactions energy: -278.106
where: short stacking energy: -142.578
Base-Backbone interact. energy: -1.647
local terms energy: -252.101656
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -70.284
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -42.328
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: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -353.298897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.298897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.298897 (E_RNA)
where:
Base-Base interactions energy: -114.617
where: short stacking energy: -103.396
Base-Backbone interact. energy: 0.604
local terms energy: -239.285621
where:
bonds (distance) C4'-P energy: -69.950
bonds (distance) P-C4' energy: -86.534
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: 10.838
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: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -325.355213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.355213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.355213 (E_RNA)
where:
Base-Base interactions energy: -138.133
where: short stacking energy: -101.374
Base-Backbone interact. energy: -2.886
local terms energy: -184.335641
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -73.060
flat angles C4'-P-C4' energy: -33.983
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: 16.672
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: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1357.460431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.460431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.460431 (E_RNA)
where:
Base-Base interactions energy: -940.455
where: short stacking energy: -394.830
Base-Backbone interact. energy: -2.556
local terms energy: -414.448961
where:
bonds (distance) C4'-P energy: -71.750
bonds (distance) P-C4' energy: -85.300
flat angles C4'-P-C4' energy: -82.482
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: -117.959
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: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1369.685435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.685435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.685435 (E_RNA)
where:
Base-Base interactions energy: -956.193
where: short stacking energy: -374.478
Base-Backbone interact. energy: -2.498
local terms energy: -410.994289
where:
bonds (distance) C4'-P energy: -75.470
bonds (distance) P-C4' energy: -72.135
flat angles C4'-P-C4' energy: -86.612
flat angles P-C4'-P energy: -64.640
tors. eta vs tors. theta energy: -112.137
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: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1270.414914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.414914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.414914 (E_RNA)
where:
Base-Base interactions energy: -871.467
where: short stacking energy: -365.894
Base-Backbone interact. energy: -0.627
local terms energy: -398.320809
where:
bonds (distance) C4'-P energy: -74.119
bonds (distance) P-C4' energy: -82.181
flat angles C4'-P-C4' energy: -89.083
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -106.835
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: 226
Temperature: 1.050000
Total energy: -1221.266448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.266448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.266448 (E_RNA)
where:
Base-Base interactions energy: -806.604
where: short stacking energy: -349.789
Base-Backbone interact. energy: -1.593
local terms energy: -413.069064
where:
bonds (distance) C4'-P energy: -74.962
bonds (distance) P-C4' energy: -79.073
flat angles C4'-P-C4' energy: -86.128
flat angles P-C4'-P energy: -56.685
tors. eta vs tors. theta energy: -116.221
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: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1187.734425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.734425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.734425 (E_RNA)
where:
Base-Base interactions energy: -786.447
where: short stacking energy: -334.267
Base-Backbone interact. energy: -0.639
local terms energy: -400.648187
where:
bonds (distance) C4'-P energy: -72.553
bonds (distance) P-C4' energy: -75.852
flat angles C4'-P-C4' energy: -87.749
flat angles P-C4'-P energy: -54.220
tors. eta vs tors. theta energy: -110.274
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: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -983.746479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.746479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.746479 (E_RNA)
where:
Base-Base interactions energy: -640.748
where: short stacking energy: -268.809
Base-Backbone interact. energy: -1.339
local terms energy: -341.659192
where:
bonds (distance) C4'-P energy: -74.910
bonds (distance) P-C4' energy: -73.597
flat angles C4'-P-C4' energy: -77.387
flat angles P-C4'-P energy: -54.547
tors. eta vs tors. theta energy: -61.218
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: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -867.711839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.711839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.711839 (E_RNA)
where:
Base-Base interactions energy: -560.689
where: short stacking energy: -257.315
Base-Backbone interact. energy: -0.822
local terms energy: -306.200844
where:
bonds (distance) C4'-P energy: -67.599
bonds (distance) P-C4' energy: -71.909
flat angles C4'-P-C4' energy: -72.150
flat angles P-C4'-P energy: -40.781
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: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -535.482851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.482851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.482851 (E_RNA)
where:
Base-Base interactions energy: -274.926
where: short stacking energy: -148.233
Base-Backbone interact. energy: -0.140
local terms energy: -260.417052
where:
bonds (distance) C4'-P energy: -64.770
bonds (distance) P-C4' energy: -75.829
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -47.870
tors. eta vs tors. theta energy: -10.302
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: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -353.521077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.521077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.521077 (E_RNA)
where:
Base-Base interactions energy: -134.948
where: short stacking energy: -110.380
Base-Backbone interact. energy: 0.887
local terms energy: -219.460472
where:
bonds (distance) C4'-P energy: -61.084
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -45.443
tors. eta vs tors. theta energy: 3.343
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: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -316.684192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.684192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.684192 (E_RNA)
where:
Base-Base interactions energy: -109.393
where: short stacking energy: -87.555
Base-Backbone interact. energy: -1.077
local terms energy: -206.214419
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -63.768
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -4.114
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: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1365.210977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.210977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.210977 (E_RNA)
where:
Base-Base interactions energy: -946.234
where: short stacking energy: -381.171
Base-Backbone interact. energy: -1.703
local terms energy: -417.273966
where:
bonds (distance) C4'-P energy: -69.799
bonds (distance) P-C4' energy: -85.118
flat angles C4'-P-C4' energy: -86.750
flat angles P-C4'-P energy: -64.057
tors. eta vs tors. theta energy: -111.551
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: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1365.566688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.566688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.566688 (E_RNA)
where:
Base-Base interactions energy: -938.062
where: short stacking energy: -382.659
Base-Backbone interact. energy: 0.216
local terms energy: -427.720954
where:
bonds (distance) C4'-P energy: -79.222
bonds (distance) P-C4' energy: -80.140
flat angles C4'-P-C4' energy: -92.140
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: -112.154
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: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1263.541574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.541574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.541574 (E_RNA)
where:
Base-Base interactions energy: -879.587
where: short stacking energy: -367.896
Base-Backbone interact. energy: -1.528
local terms energy: -382.425982
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -79.809
flat angles P-C4'-P energy: -56.924
tors. eta vs tors. theta energy: -109.885
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: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1222.231308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.231308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.231308 (E_RNA)
where:
Base-Base interactions energy: -816.842
where: short stacking energy: -377.298
Base-Backbone interact. energy: -0.752
local terms energy: -404.637986
where:
bonds (distance) C4'-P energy: -76.327
bonds (distance) P-C4' energy: -73.530
flat angles C4'-P-C4' energy: -76.088
flat angles P-C4'-P energy: -57.634
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: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1173.404523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.404523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.404523 (E_RNA)
where:
Base-Base interactions energy: -794.894
where: short stacking energy: -331.112
Base-Backbone interact. energy: -0.303
local terms energy: -378.207590
where:
bonds (distance) C4'-P energy: -71.975
bonds (distance) P-C4' energy: -77.972
flat angles C4'-P-C4' energy: -81.503
flat angles P-C4'-P energy: -48.652
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: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -890.735713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.735713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.735713 (E_RNA)
where:
Base-Base interactions energy: -580.834
where: short stacking energy: -253.468
Base-Backbone interact. energy: -0.209
local terms energy: -309.692542
where:
bonds (distance) C4'-P energy: -71.283
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -57.567
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: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -976.393703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.393703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.393703 (E_RNA)
where:
Base-Base interactions energy: -632.843
where: short stacking energy: -276.080
Base-Backbone interact. energy: -0.999
local terms energy: -342.551933
where:
bonds (distance) C4'-P energy: -77.244
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -81.067
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -76.335
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: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -562.989421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.989421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.989421 (E_RNA)
where:
Base-Base interactions energy: -303.086
where: short stacking energy: -172.213
Base-Backbone interact. energy: 0.399
local terms energy: -260.302780
where:
bonds (distance) C4'-P energy: -76.594
bonds (distance) P-C4' energy: -69.792
flat angles C4'-P-C4' energy: -55.610
flat angles P-C4'-P energy: -33.081
tors. eta vs tors. theta energy: -25.225
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: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -334.033821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.033821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.033821 (E_RNA)
where:
Base-Base interactions energy: -99.585
where: short stacking energy: -86.872
Base-Backbone interact. energy: 2.765
local terms energy: -237.213702
where:
bonds (distance) C4'-P energy: -63.620
bonds (distance) P-C4' energy: -67.451
flat angles C4'-P-C4' energy: -78.462
flat angles P-C4'-P energy: -34.439
tors. eta vs tors. theta energy: 6.758
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: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -301.326546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.326546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.326546 (E_RNA)
where:
Base-Base interactions energy: -98.847
where: short stacking energy: -67.747
Base-Backbone interact. energy: -1.584
local terms energy: -200.895577
where:
bonds (distance) C4'-P energy: -69.885
bonds (distance) P-C4' energy: -69.841
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: 17.483
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: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1363.044245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.044245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.044245 (E_RNA)
where:
Base-Base interactions energy: -937.963
where: short stacking energy: -399.117
Base-Backbone interact. energy: -1.583
local terms energy: -423.497791
where:
bonds (distance) C4'-P energy: -73.794
bonds (distance) P-C4' energy: -72.470
flat angles C4'-P-C4' energy: -93.400
flat angles P-C4'-P energy: -65.056
tors. eta vs tors. theta energy: -118.777
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1341.933257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.933257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.933257 (E_RNA)
where:
Base-Base interactions energy: -905.635
where: short stacking energy: -382.869
Base-Backbone interact. energy: -0.669
local terms energy: -435.629772
where:
bonds (distance) C4'-P energy: -79.547
bonds (distance) P-C4' energy: -81.126
flat angles C4'-P-C4' energy: -91.022
flat angles P-C4'-P energy: -63.457
tors. eta vs tors. theta energy: -120.478
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: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1293.344115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.344115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.344115 (E_RNA)
where:
Base-Base interactions energy: -883.973
where: short stacking energy: -374.378
Base-Backbone interact. energy: -4.387
local terms energy: -404.983881
where:
bonds (distance) C4'-P energy: -79.212
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -85.034
flat angles P-C4'-P energy: -59.332
tors. eta vs tors. theta energy: -114.877
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: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1209.464281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.464281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.464281 (E_RNA)
where:
Base-Base interactions energy: -803.351
where: short stacking energy: -350.886
Base-Backbone interact. energy: -0.513
local terms energy: -405.599559
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -76.488
flat angles C4'-P-C4' energy: -91.272
flat angles P-C4'-P energy: -58.545
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: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1164.108577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.108577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.108577 (E_RNA)
where:
Base-Base interactions energy: -753.716
where: short stacking energy: -312.755
Base-Backbone interact. energy: -1.469
local terms energy: -408.923247
where:
bonds (distance) C4'-P energy: -77.059
bonds (distance) P-C4' energy: -83.486
flat angles C4'-P-C4' energy: -85.183
flat angles P-C4'-P energy: -62.230
tors. eta vs tors. theta energy: -100.965
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: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -889.009344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.009344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.009344 (E_RNA)
where:
Base-Base interactions energy: -574.087
where: short stacking energy: -253.025
Base-Backbone interact. energy: -1.122
local terms energy: -313.800144
where:
bonds (distance) C4'-P energy: -65.443
bonds (distance) P-C4' energy: -80.856
flat angles C4'-P-C4' energy: -67.468
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -57.177
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: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -980.124334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.124334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.124334 (E_RNA)
where:
Base-Base interactions energy: -661.804
where: short stacking energy: -293.368
Base-Backbone interact. energy: -1.416
local terms energy: -316.904436
where:
bonds (distance) C4'-P energy: -61.487
bonds (distance) P-C4' energy: -69.496
flat angles C4'-P-C4' energy: -63.623
flat angles P-C4'-P energy: -54.296
tors. eta vs tors. theta energy: -68.002
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: 228
Temperature: 1.250000
Total energy: -548.099488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.099488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.099488 (E_RNA)
where:
Base-Base interactions energy: -265.179
where: short stacking energy: -134.133
Base-Backbone interact. energy: 0.896
local terms energy: -283.816168
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -66.086
flat angles P-C4'-P energy: -50.165
tors. eta vs tors. theta energy: -24.430
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: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -335.922176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.922176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.922176 (E_RNA)
where:
Base-Base interactions energy: -114.787
where: short stacking energy: -106.528
Base-Backbone interact. energy: 0.731
local terms energy: -221.865633
where:
bonds (distance) C4'-P energy: -59.321
bonds (distance) P-C4' energy: -63.479
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -48.409
tors. eta vs tors. theta energy: 16.773
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: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -309.428494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.428494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.428494 (E_RNA)
where:
Base-Base interactions energy: -96.171
where: short stacking energy: -77.304
Base-Backbone interact. energy: 0.489
local terms energy: -213.746541
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -72.185
flat angles C4'-P-C4' energy: -53.272
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: 8.066
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: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1364.431040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.431040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.431040 (E_RNA)
where:
Base-Base interactions energy: -929.778
where: short stacking energy: -391.509
Base-Backbone interact. energy: -1.452
local terms energy: -433.201040
where:
bonds (distance) C4'-P energy: -77.258
bonds (distance) P-C4' energy: -80.570
flat angles C4'-P-C4' energy: -90.695
flat angles P-C4'-P energy: -68.632
tors. eta vs tors. theta energy: -116.045
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: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1343.515095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.515095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.515095 (E_RNA)
where:
Base-Base interactions energy: -930.024
where: short stacking energy: -389.427
Base-Backbone interact. energy: -1.502
local terms energy: -411.988655
where:
bonds (distance) C4'-P energy: -72.250
bonds (distance) P-C4' energy: -78.965
flat angles C4'-P-C4' energy: -87.514
flat angles P-C4'-P energy: -53.944
tors. eta vs tors. theta energy: -119.316
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: 229
Temperature: 1.000000
Total energy: -1270.136796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.136796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.136796 (E_RNA)
where:
Base-Base interactions energy: -881.305
where: short stacking energy: -365.358
Base-Backbone interact. energy: -3.693
local terms energy: -385.139141
where:
bonds (distance) C4'-P energy: -65.511
bonds (distance) P-C4' energy: -76.549
flat angles C4'-P-C4' energy: -74.060
flat angles P-C4'-P energy: -58.358
tors. eta vs tors. theta energy: -110.661
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: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1199.208436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.208436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.208436 (E_RNA)
where:
Base-Base interactions energy: -785.643
where: short stacking energy: -356.043
Base-Backbone interact. energy: -2.122
local terms energy: -411.443560
where:
bonds (distance) C4'-P energy: -80.159
bonds (distance) P-C4' energy: -70.365
flat angles C4'-P-C4' energy: -86.668
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -113.146
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: 229
Temperature: 1.100000
Total energy: -1142.759393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.759393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.759393 (E_RNA)
where:
Base-Base interactions energy: -765.053
where: short stacking energy: -324.336
Base-Backbone interact. energy: -0.439
local terms energy: -377.267265
where:
bonds (distance) C4'-P energy: -79.171
bonds (distance) P-C4' energy: -74.641
flat angles C4'-P-C4' energy: -82.952
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -90.408
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: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1003.055148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.055148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.055148 (E_RNA)
where:
Base-Base interactions energy: -663.919
where: short stacking energy: -260.376
Base-Backbone interact. energy: -1.526
local terms energy: -337.610836
where:
bonds (distance) C4'-P energy: -73.452
bonds (distance) P-C4' energy: -73.961
flat angles C4'-P-C4' energy: -67.252
flat angles P-C4'-P energy: -52.226
tors. eta vs tors. theta energy: -70.719
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: 2
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -883.918803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.918803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.918803 (E_RNA)
where:
Base-Base interactions energy: -559.793
where: short stacking energy: -247.050
Base-Backbone interact. energy: -1.066
local terms energy: -323.059308
where:
bonds (distance) C4'-P energy: -68.312
bonds (distance) P-C4' energy: -79.513
flat angles C4'-P-C4' energy: -69.794
flat angles P-C4'-P energy: -50.650
tors. eta vs tors. theta energy: -54.790
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: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -542.847077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.847077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.847077 (E_RNA)
where:
Base-Base interactions energy: -307.456
where: short stacking energy: -165.745
Base-Backbone interact. energy: -0.918
local terms energy: -234.472933
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -58.441
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -26.083
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: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -325.511538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.511538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.511538 (E_RNA)
where:
Base-Base interactions energy: -127.615
where: short stacking energy: -102.319
Base-Backbone interact. energy: -1.508
local terms energy: -196.388997
where:
bonds (distance) C4'-P energy: -52.534
bonds (distance) P-C4' energy: -65.584
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -29.257
tors. eta vs tors. theta energy: 11.453
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: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -335.583199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.583199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.583199 (E_RNA)
where:
Base-Base interactions energy: -119.547
where: short stacking energy: -82.673
Base-Backbone interact. energy: -0.589
local terms energy: -215.447443
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -75.158
flat angles C4'-P-C4' energy: -50.214
flat angles P-C4'-P energy: -29.205
tors. eta vs tors. theta energy: 4.373
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: 230
Temperature: 0.900000
Total energy: -1367.164656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.164656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.164656 (E_RNA)
where:
Base-Base interactions energy: -933.235
where: short stacking energy: -402.732
Base-Backbone interact. energy: -2.293
local terms energy: -431.637512
where:
bonds (distance) C4'-P energy: -81.011
bonds (distance) P-C4' energy: -82.522
flat angles C4'-P-C4' energy: -94.772
flat angles P-C4'-P energy: -58.061
tors. eta vs tors. theta energy: -115.272
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1329.526739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.526739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.526739 (E_RNA)
where:
Base-Base interactions energy: -912.722
where: short stacking energy: -366.157
Base-Backbone interact. energy: -2.735
local terms energy: -414.069612
where:
bonds (distance) C4'-P energy: -76.638
bonds (distance) P-C4' energy: -73.798
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -67.229
tors. eta vs tors. theta energy: -110.274
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: 230
Temperature: 1.000000
Total energy: -1296.718151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.718151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.718151 (E_RNA)
where:
Base-Base interactions energy: -910.244
where: short stacking energy: -363.973
Base-Backbone interact. energy: -1.406
local terms energy: -385.067896
where:
bonds (distance) C4'-P energy: -73.191
bonds (distance) P-C4' energy: -73.013
flat angles C4'-P-C4' energy: -75.757
flat angles P-C4'-P energy: -54.798
tors. eta vs tors. theta energy: -108.309
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: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1219.084675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.084675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.084675 (E_RNA)
where:
Base-Base interactions energy: -824.799
where: short stacking energy: -356.159
Base-Backbone interact. energy: 1.988
local terms energy: -396.273352
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -86.977
flat angles P-C4'-P energy: -49.641
tors. eta vs tors. theta energy: -112.261
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1119.962544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.962544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.962544 (E_RNA)
where:
Base-Base interactions energy: -752.801
where: short stacking energy: -321.908
Base-Backbone interact. energy: 0.735
local terms energy: -367.897024
where:
bonds (distance) C4'-P energy: -83.238
bonds (distance) P-C4' energy: -69.144
flat angles C4'-P-C4' energy: -74.294
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: -92.173
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1011.517351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.517351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.517351 (E_RNA)
where:
Base-Base interactions energy: -680.032
where: short stacking energy: -275.134
Base-Backbone interact. energy: -2.153
local terms energy: -329.331602
where:
bonds (distance) C4'-P energy: -59.434
bonds (distance) P-C4' energy: -75.290
flat angles C4'-P-C4' energy: -73.032
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -70.923
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: 2
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -844.594659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.594659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.594659 (E_RNA)
where:
Base-Base interactions energy: -542.815
where: short stacking energy: -256.006
Base-Backbone interact. energy: 0.516
local terms energy: -302.296030
where:
bonds (distance) C4'-P energy: -73.171
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -68.490
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -52.543
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: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -477.275349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.275349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.275349 (E_RNA)
where:
Base-Base interactions energy: -233.248
where: short stacking energy: -128.447
Base-Backbone interact. energy: -0.565
local terms energy: -243.462185
where:
bonds (distance) C4'-P energy: -67.070
bonds (distance) P-C4' energy: -85.422
flat angles C4'-P-C4' energy: -45.562
flat angles P-C4'-P energy: -39.591
tors. eta vs tors. theta energy: -5.818
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: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -336.717441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.717441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.717441 (E_RNA)
where:
Base-Base interactions energy: -119.846
where: short stacking energy: -91.041
Base-Backbone interact. energy: -1.275
local terms energy: -215.596051
where:
bonds (distance) C4'-P energy: -59.508
bonds (distance) P-C4' energy: -63.617
flat angles C4'-P-C4' energy: -51.190
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: -5.255
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: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -300.202869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.202869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.202869 (E_RNA)
where:
Base-Base interactions energy: -99.813
where: short stacking energy: -88.573
Base-Backbone interact. energy: -1.896
local terms energy: -198.494288
where:
bonds (distance) C4'-P energy: -54.263
bonds (distance) P-C4' energy: -71.631
flat angles C4'-P-C4' energy: -61.015
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: 15.365
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: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1364.847030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.847030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.847030 (E_RNA)
where:
Base-Base interactions energy: -942.975
where: short stacking energy: -382.840
Base-Backbone interact. energy: -1.275
local terms energy: -420.596441
where:
bonds (distance) C4'-P energy: -76.179
bonds (distance) P-C4' energy: -76.794
flat angles C4'-P-C4' energy: -93.496
flat angles P-C4'-P energy: -60.786
tors. eta vs tors. theta energy: -113.342
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: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1346.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.255595 (E_RNA)
where:
Base-Base interactions energy: -915.799
where: short stacking energy: -371.141
Base-Backbone interact. energy: -0.971
local terms energy: -429.485002
where:
bonds (distance) C4'-P energy: -82.333
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -99.421
flat angles P-C4'-P energy: -59.142
tors. eta vs tors. theta energy: -116.044
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: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1272.310801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.310801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.310801 (E_RNA)
where:
Base-Base interactions energy: -883.812
where: short stacking energy: -338.874
Base-Backbone interact. energy: 2.154
local terms energy: -390.653084
where:
bonds (distance) C4'-P energy: -68.864
bonds (distance) P-C4' energy: -83.591
flat angles C4'-P-C4' energy: -78.883
flat angles P-C4'-P energy: -55.376
tors. eta vs tors. theta energy: -103.939
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: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1213.581130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.581130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.581130 (E_RNA)
where:
Base-Base interactions energy: -809.462
where: short stacking energy: -388.389
Base-Backbone interact. energy: 0.567
local terms energy: -404.686255
where:
bonds (distance) C4'-P energy: -68.089
bonds (distance) P-C4' energy: -75.875
flat angles C4'-P-C4' energy: -88.832
flat angles P-C4'-P energy: -49.755
tors. eta vs tors. theta energy: -122.136
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: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1124.555528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.555528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.555528 (E_RNA)
where:
Base-Base interactions energy: -741.600
where: short stacking energy: -299.305
Base-Backbone interact. energy: 2.319
local terms energy: -385.275168
where:
bonds (distance) C4'-P energy: -75.898
bonds (distance) P-C4' energy: -78.204
flat angles C4'-P-C4' energy: -93.555
flat angles P-C4'-P energy: -48.890
tors. eta vs tors. theta energy: -88.728
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -988.717571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.717571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.717571 (E_RNA)
where:
Base-Base interactions energy: -637.584
where: short stacking energy: -279.187
Base-Backbone interact. energy: -1.939
local terms energy: -349.194133
where:
bonds (distance) C4'-P energy: -71.875
bonds (distance) P-C4' energy: -73.617
flat angles C4'-P-C4' energy: -75.152
flat angles P-C4'-P energy: -53.159
tors. eta vs tors. theta energy: -75.391
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: 231
Temperature: 1.200000
Total energy: -869.598585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.598585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.598585 (E_RNA)
where:
Base-Base interactions energy: -558.510
where: short stacking energy: -256.146
Base-Backbone interact. energy: -0.048
local terms energy: -311.041256
where:
bonds (distance) C4'-P energy: -64.253
bonds (distance) P-C4' energy: -73.898
flat angles C4'-P-C4' energy: -71.366
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -67.248
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: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -474.754254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.754254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.754254 (E_RNA)
where:
Base-Base interactions energy: -247.632
where: short stacking energy: -142.956
Base-Backbone interact. energy: -0.522
local terms energy: -226.600716
where:
bonds (distance) C4'-P energy: -62.886
bonds (distance) P-C4' energy: -64.349
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -31.097
tors. eta vs tors. theta energy: -9.212
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -362.735167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.735167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.735167 (E_RNA)
where:
Base-Base interactions energy: -148.637
where: short stacking energy: -117.433
Base-Backbone interact. energy: 1.079
local terms energy: -215.177234
where:
bonds (distance) C4'-P energy: -69.141
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -58.140
flat angles P-C4'-P energy: -30.165
tors. eta vs tors. theta energy: 7.561
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: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -309.654447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.654447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.654447 (E_RNA)
where:
Base-Base interactions energy: -109.122
where: short stacking energy: -100.203
Base-Backbone interact. energy: -1.267
local terms energy: -199.265494
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -64.590
flat angles C4'-P-C4' energy: -54.752
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: 13.358
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: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1361.024976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.024976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.024976 (E_RNA)
where:
Base-Base interactions energy: -952.395
where: short stacking energy: -385.404
Base-Backbone interact. energy: -1.092
local terms energy: -407.537497
where:
bonds (distance) C4'-P energy: -69.566
bonds (distance) P-C4' energy: -80.418
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -54.937
tors. eta vs tors. theta energy: -118.443
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: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1329.112630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.112630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.112630 (E_RNA)
where:
Base-Base interactions energy: -913.921
where: short stacking energy: -386.396
Base-Backbone interact. energy: -0.220
local terms energy: -414.972233
where:
bonds (distance) C4'-P energy: -86.172
bonds (distance) P-C4' energy: -65.896
flat angles C4'-P-C4' energy: -91.580
flat angles P-C4'-P energy: -63.197
tors. eta vs tors. theta energy: -108.127
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: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1289.336994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.336994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.336994 (E_RNA)
where:
Base-Base interactions energy: -893.669
where: short stacking energy: -363.088
Base-Backbone interact. energy: -0.946
local terms energy: -394.722154
where:
bonds (distance) C4'-P energy: -69.787
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -90.155
flat angles P-C4'-P energy: -55.657
tors. eta vs tors. theta energy: -105.363
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: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1229.212443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.212443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.212443 (E_RNA)
where:
Base-Base interactions energy: -813.870
where: short stacking energy: -368.169
Base-Backbone interact. energy: -0.620
local terms energy: -414.722589
where:
bonds (distance) C4'-P energy: -69.031
bonds (distance) P-C4' energy: -71.865
flat angles C4'-P-C4' energy: -92.559
flat angles P-C4'-P energy: -62.644
tors. eta vs tors. theta energy: -118.624
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: 232
Temperature: 1.100000
Total energy: -1177.500806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.500806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.500806 (E_RNA)
where:
Base-Base interactions energy: -806.618
where: short stacking energy: -334.395
Base-Backbone interact. energy: -2.249
local terms energy: -368.634346
where:
bonds (distance) C4'-P energy: -63.321
bonds (distance) P-C4' energy: -76.467
flat angles C4'-P-C4' energy: -66.329
flat angles P-C4'-P energy: -62.345
tors. eta vs tors. theta energy: -100.172
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: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -998.310970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.310970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.310970 (E_RNA)
where:
Base-Base interactions energy: -641.984
where: short stacking energy: -266.706
Base-Backbone interact. energy: -2.259
local terms energy: -354.068732
where:
bonds (distance) C4'-P energy: -76.100
bonds (distance) P-C4' energy: -73.165
flat angles C4'-P-C4' energy: -75.933
flat angles P-C4'-P energy: -42.591
tors. eta vs tors. theta energy: -86.280
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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -830.511759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.511759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.511759 (E_RNA)
where:
Base-Base interactions energy: -525.266
where: short stacking energy: -231.190
Base-Backbone interact. energy: 4.511
local terms energy: -309.755995
where:
bonds (distance) C4'-P energy: -79.759
bonds (distance) P-C4' energy: -74.616
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -61.819
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: 232
Temperature: 1.250000
Total energy: -535.394257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.394257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.394257 (E_RNA)
where:
Base-Base interactions energy: -264.152
where: short stacking energy: -134.117
Base-Backbone interact. energy: -0.302
local terms energy: -270.939986
where:
bonds (distance) C4'-P energy: -55.955
bonds (distance) P-C4' energy: -85.826
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -15.060
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: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -362.171451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.171451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.171451 (E_RNA)
where:
Base-Base interactions energy: -120.595
where: short stacking energy: -114.064
Base-Backbone interact. energy: 0.694
local terms energy: -242.270656
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -76.147
flat angles C4'-P-C4' energy: -62.547
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -14.548
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: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -306.506331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.506331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.506331 (E_RNA)
where:
Base-Base interactions energy: -112.847
where: short stacking energy: -78.516
Base-Backbone interact. energy: -0.469
local terms energy: -193.190650
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -63.416
flat angles C4'-P-C4' energy: -46.480
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: 14.575
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: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1369.057381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.057381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.057381 (E_RNA)
where:
Base-Base interactions energy: -939.330
where: short stacking energy: -407.484
Base-Backbone interact. energy: 0.081
local terms energy: -429.808124
where:
bonds (distance) C4'-P energy: -69.199
bonds (distance) P-C4' energy: -80.872
flat angles C4'-P-C4' energy: -96.814
flat angles P-C4'-P energy: -67.048
tors. eta vs tors. theta energy: -115.875
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: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1329.982840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.982840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.982840 (E_RNA)
where:
Base-Base interactions energy: -913.002
where: short stacking energy: -387.084
Base-Backbone interact. energy: -3.195
local terms energy: -413.786065
where:
bonds (distance) C4'-P energy: -67.434
bonds (distance) P-C4' energy: -91.619
flat angles C4'-P-C4' energy: -90.572
flat angles P-C4'-P energy: -52.450
tors. eta vs tors. theta energy: -111.711
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: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1295.084859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.084859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.084859 (E_RNA)
where:
Base-Base interactions energy: -892.230
where: short stacking energy: -377.726
Base-Backbone interact. energy: -1.400
local terms energy: -401.454510
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -83.294
flat angles C4'-P-C4' energy: -85.954
flat angles P-C4'-P energy: -57.390
tors. eta vs tors. theta energy: -101.988
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: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1244.143890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.143890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.143890 (E_RNA)
where:
Base-Base interactions energy: -854.484
where: short stacking energy: -362.559
Base-Backbone interact. energy: 3.028
local terms energy: -392.688143
where:
bonds (distance) C4'-P energy: -68.597
bonds (distance) P-C4' energy: -73.153
flat angles C4'-P-C4' energy: -87.290
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -113.600
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: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1143.527297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.527297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.527297 (E_RNA)
where:
Base-Base interactions energy: -760.337
where: short stacking energy: -346.333
Base-Backbone interact. energy: -0.575
local terms energy: -382.615556
where:
bonds (distance) C4'-P energy: -64.410
bonds (distance) P-C4' energy: -67.700
flat angles C4'-P-C4' energy: -88.287
flat angles P-C4'-P energy: -61.471
tors. eta vs tors. theta energy: -100.747
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: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -984.152859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.152859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.152859 (E_RNA)
where:
Base-Base interactions energy: -659.019
where: short stacking energy: -268.513
Base-Backbone interact. energy: 0.752
local terms energy: -325.885738
where:
bonds (distance) C4'-P energy: -71.824
bonds (distance) P-C4' energy: -64.554
flat angles C4'-P-C4' energy: -71.879
flat angles P-C4'-P energy: -49.319
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: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -773.707184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.707184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.707184 (E_RNA)
where:
Base-Base interactions energy: -493.848
where: short stacking energy: -225.723
Base-Backbone interact. energy: -1.025
local terms energy: -278.833828
where:
bonds (distance) C4'-P energy: -64.621
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -40.109
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: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -581.588808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.588808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.588808 (E_RNA)
where:
Base-Base interactions energy: -317.361
where: short stacking energy: -167.563
Base-Backbone interact. energy: 0.649
local terms energy: -264.877168
where:
bonds (distance) C4'-P energy: -60.832
bonds (distance) P-C4' energy: -83.607
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -34.387
tors. eta vs tors. theta energy: -20.332
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: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -349.840541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.840541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.840541 (E_RNA)
where:
Base-Base interactions energy: -111.434
where: short stacking energy: -87.876
Base-Backbone interact. energy: -0.369
local terms energy: -238.037829
where:
bonds (distance) C4'-P energy: -74.916
bonds (distance) P-C4' energy: -71.122
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -38.935
tors. eta vs tors. theta energy: 5.965
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: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -318.560978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.560978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.560978 (E_RNA)
where:
Base-Base interactions energy: -107.176
where: short stacking energy: -91.098
Base-Backbone interact. energy: -3.748
local terms energy: -207.636518
where:
bonds (distance) C4'-P energy: -69.849
bonds (distance) P-C4' energy: -76.509
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: 10.249
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: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1399.764775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.764775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.764775 (E_RNA)
where:
Base-Base interactions energy: -951.893
where: short stacking energy: -388.564
Base-Backbone interact. energy: -4.339
local terms energy: -443.532184
where:
bonds (distance) C4'-P energy: -67.852
bonds (distance) P-C4' energy: -84.049
flat angles C4'-P-C4' energy: -98.154
flat angles P-C4'-P energy: -77.252
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: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1339.784418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.784418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.784418 (E_RNA)
where:
Base-Base interactions energy: -900.438
where: short stacking energy: -392.380
Base-Backbone interact. energy: 2.518
local terms energy: -441.864364
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -83.573
flat angles C4'-P-C4' energy: -92.112
flat angles P-C4'-P energy: -60.109
tors. eta vs tors. theta energy: -126.673
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: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1306.749255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.749255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.749255 (E_RNA)
where:
Base-Base interactions energy: -894.249
where: short stacking energy: -379.995
Base-Backbone interact. energy: 1.055
local terms energy: -413.555328
where:
bonds (distance) C4'-P energy: -73.702
bonds (distance) P-C4' energy: -83.686
flat angles C4'-P-C4' energy: -89.365
flat angles P-C4'-P energy: -52.223
tors. eta vs tors. theta energy: -114.580
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: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1241.134932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.134932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.134932 (E_RNA)
where:
Base-Base interactions energy: -832.775
where: short stacking energy: -352.007
Base-Backbone interact. energy: 0.069
local terms energy: -408.428950
where:
bonds (distance) C4'-P energy: -72.672
bonds (distance) P-C4' energy: -80.654
flat angles C4'-P-C4' energy: -84.063
flat angles P-C4'-P energy: -53.307
tors. eta vs tors. theta energy: -117.734
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: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1167.179621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.179621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.179621 (E_RNA)
where:
Base-Base interactions energy: -774.196
where: short stacking energy: -328.958
Base-Backbone interact. energy: -1.371
local terms energy: -391.612560
where:
bonds (distance) C4'-P energy: -74.531
bonds (distance) P-C4' energy: -76.578
flat angles C4'-P-C4' energy: -76.061
flat angles P-C4'-P energy: -51.475
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: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1005.469745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.469745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.469745 (E_RNA)
where:
Base-Base interactions energy: -657.506
where: short stacking energy: -287.215
Base-Backbone interact. energy: -1.618
local terms energy: -346.346282
where:
bonds (distance) C4'-P energy: -73.125
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -72.344
flat angles P-C4'-P energy: -54.922
tors. eta vs tors. theta energy: -74.886
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: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -904.307898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.307898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.307898 (E_RNA)
where:
Base-Base interactions energy: -585.772
where: short stacking energy: -268.265
Base-Backbone interact. energy: 0.977
local terms energy: -319.512812
where:
bonds (distance) C4'-P energy: -73.861
bonds (distance) P-C4' energy: -65.784
flat angles C4'-P-C4' energy: -75.170
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -70.951
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: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -546.798836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.798836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.798836 (E_RNA)
where:
Base-Base interactions energy: -289.789
where: short stacking energy: -137.383
Base-Backbone interact. energy: -4.517
local terms energy: -252.493269
where:
bonds (distance) C4'-P energy: -67.600
bonds (distance) P-C4' energy: -78.366
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -42.300
tors. eta vs tors. theta energy: -9.392
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: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -364.044785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.044785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.044785 (E_RNA)
where:
Base-Base interactions energy: -128.462
where: short stacking energy: -99.302
Base-Backbone interact. energy: 3.532
local terms energy: -239.114994
where:
bonds (distance) C4'-P energy: -70.419
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -59.309
flat angles P-C4'-P energy: -36.877
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: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -330.556206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.556206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.556206 (E_RNA)
where:
Base-Base interactions energy: -116.454
where: short stacking energy: -82.135
Base-Backbone interact. energy: -3.910
local terms energy: -210.191711
where:
bonds (distance) C4'-P energy: -74.309
bonds (distance) P-C4' energy: -69.805
flat angles C4'-P-C4' energy: -49.184
flat angles P-C4'-P energy: -39.146
tors. eta vs tors. theta energy: 22.252
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: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1368.309647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.309647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.309647 (E_RNA)
where:
Base-Base interactions energy: -966.104
where: short stacking energy: -371.723
Base-Backbone interact. energy: -1.062
local terms energy: -401.143973
where:
bonds (distance) C4'-P energy: -69.132
bonds (distance) P-C4' energy: -71.943
flat angles C4'-P-C4' energy: -85.044
flat angles P-C4'-P energy: -62.720
tors. eta vs tors. theta energy: -112.305
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: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1330.029451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.029451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.029451 (E_RNA)
where:
Base-Base interactions energy: -916.261
where: short stacking energy: -385.740
Base-Backbone interact. energy: -1.020
local terms energy: -412.748641
where:
bonds (distance) C4'-P energy: -68.880
bonds (distance) P-C4' energy: -79.116
flat angles C4'-P-C4' energy: -84.843
flat angles P-C4'-P energy: -60.614
tors. eta vs tors. theta energy: -119.296
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: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1285.715701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.715701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.715701 (E_RNA)
where:
Base-Base interactions energy: -900.414
where: short stacking energy: -351.699
Base-Backbone interact. energy: -0.715
local terms energy: -384.586793
where:
bonds (distance) C4'-P energy: -76.991
bonds (distance) P-C4' energy: -77.937
flat angles C4'-P-C4' energy: -77.274
flat angles P-C4'-P energy: -50.009
tors. eta vs tors. theta energy: -102.377
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: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1239.222052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.222052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.222052 (E_RNA)
where:
Base-Base interactions energy: -854.815
where: short stacking energy: -328.445
Base-Backbone interact. energy: 3.686
local terms energy: -388.092209
where:
bonds (distance) C4'-P energy: -80.992
bonds (distance) P-C4' energy: -83.133
flat angles C4'-P-C4' energy: -77.153
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -106.039
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: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1140.968997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.968997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.968997 (E_RNA)
where:
Base-Base interactions energy: -771.559
where: short stacking energy: -352.751
Base-Backbone interact. energy: -0.916
local terms energy: -368.494665
where:
bonds (distance) C4'-P energy: -53.209
bonds (distance) P-C4' energy: -74.949
flat angles C4'-P-C4' energy: -77.853
flat angles P-C4'-P energy: -55.671
tors. eta vs tors. theta energy: -106.814
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: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1023.745189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.745189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.745189 (E_RNA)
where:
Base-Base interactions energy: -683.604
where: short stacking energy: -306.997
Base-Backbone interact. energy: -2.541
local terms energy: -337.600104
where:
bonds (distance) C4'-P energy: -71.692
bonds (distance) P-C4' energy: -72.459
flat angles C4'-P-C4' energy: -72.871
flat angles P-C4'-P energy: -39.999
tors. eta vs tors. theta energy: -80.579
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: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -911.693900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.693900 (E_RNA)
where:
Base-Base interactions energy: -566.019
where: short stacking energy: -244.213
Base-Backbone interact. energy: 2.755
local terms energy: -348.430080
where:
bonds (distance) C4'-P energy: -81.571
bonds (distance) P-C4' energy: -77.972
flat angles C4'-P-C4' energy: -76.320
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -57.689
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -552.604541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.604541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.604541 (E_RNA)
where:
Base-Base interactions energy: -289.738
where: short stacking energy: -155.790
Base-Backbone interact. energy: 1.205
local terms energy: -264.070784
where:
bonds (distance) C4'-P energy: -64.527
bonds (distance) P-C4' energy: -60.124
flat angles C4'-P-C4' energy: -75.141
flat angles P-C4'-P energy: -44.909
tors. eta vs tors. theta energy: -19.369
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -348.927922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.927922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.927922 (E_RNA)
where:
Base-Base interactions energy: -124.590
where: short stacking energy: -100.060
Base-Backbone interact. energy: -1.634
local terms energy: -222.704245
where:
bonds (distance) C4'-P energy: -65.436
bonds (distance) P-C4' energy: -70.132
flat angles C4'-P-C4' energy: -58.592
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: 2.897
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: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -301.733880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.733880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.733880 (E_RNA)
where:
Base-Base interactions energy: -97.037
where: short stacking energy: -69.815
Base-Backbone interact. energy: -3.642
local terms energy: -201.054433
where:
bonds (distance) C4'-P energy: -67.206
bonds (distance) P-C4' energy: -62.223
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -43.498
tors. eta vs tors. theta energy: 22.508
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: 236
Temperature: 0.900000
Total energy: -1366.145315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.145315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.145315 (E_RNA)
where:
Base-Base interactions energy: -942.921
where: short stacking energy: -396.871
Base-Backbone interact. energy: -1.195
local terms energy: -422.029022
where:
bonds (distance) C4'-P energy: -80.416
bonds (distance) P-C4' energy: -78.180
flat angles C4'-P-C4' energy: -86.019
flat angles P-C4'-P energy: -57.199
tors. eta vs tors. theta energy: -120.216
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: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1294.574699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.574699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.574699 (E_RNA)
where:
Base-Base interactions energy: -883.987
where: short stacking energy: -370.636
Base-Backbone interact. energy: 0.612
local terms energy: -411.199809
where:
bonds (distance) C4'-P energy: -76.392
bonds (distance) P-C4' energy: -74.967
flat angles C4'-P-C4' energy: -96.585
flat angles P-C4'-P energy: -62.397
tors. eta vs tors. theta energy: -100.858
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: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1289.667144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.667144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.667144 (E_RNA)
where:
Base-Base interactions energy: -882.278
where: short stacking energy: -356.047
Base-Backbone interact. energy: -1.696
local terms energy: -405.693398
where:
bonds (distance) C4'-P energy: -74.996
bonds (distance) P-C4' energy: -81.905
flat angles C4'-P-C4' energy: -85.820
flat angles P-C4'-P energy: -56.062
tors. eta vs tors. theta energy: -106.910
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: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1237.276055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.276055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.276055 (E_RNA)
where:
Base-Base interactions energy: -835.206
where: short stacking energy: -351.843
Base-Backbone interact. energy: -0.976
local terms energy: -401.093982
where:
bonds (distance) C4'-P energy: -69.482
bonds (distance) P-C4' energy: -71.376
flat angles C4'-P-C4' energy: -89.632
flat angles P-C4'-P energy: -56.448
tors. eta vs tors. theta energy: -114.156
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: 5, replica: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1180.470792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.470792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.470792 (E_RNA)
where:
Base-Base interactions energy: -812.511
where: short stacking energy: -365.149
Base-Backbone interact. energy: -0.373
local terms energy: -367.586662
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -79.834
flat angles P-C4'-P energy: -46.901
tors. eta vs tors. theta energy: -113.603
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: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -965.085778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.085778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.085778 (E_RNA)
where:
Base-Base interactions energy: -628.549
where: short stacking energy: -255.142
Base-Backbone interact. energy: -2.422
local terms energy: -334.115426
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -77.820
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -65.724
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: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -870.922389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.922389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.922389 (E_RNA)
where:
Base-Base interactions energy: -570.123
where: short stacking energy: -254.547
Base-Backbone interact. energy: 0.386
local terms energy: -301.184949
where:
bonds (distance) C4'-P energy: -63.863
bonds (distance) P-C4' energy: -71.708
flat angles C4'-P-C4' energy: -73.433
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -55.606
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: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -548.264572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.264572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.264572 (E_RNA)
where:
Base-Base interactions energy: -306.781
where: short stacking energy: -137.884
Base-Backbone interact. energy: -1.310
local terms energy: -240.173493
where:
bonds (distance) C4'-P energy: -65.888
bonds (distance) P-C4' energy: -68.184
flat angles C4'-P-C4' energy: -64.614
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: -7.064
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: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -338.058838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.058838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.058838 (E_RNA)
where:
Base-Base interactions energy: -143.735
where: short stacking energy: -109.188
Base-Backbone interact. energy: -2.302
local terms energy: -192.021144
where:
bonds (distance) C4'-P energy: -54.132
bonds (distance) P-C4' energy: -73.195
flat angles C4'-P-C4' energy: -51.443
flat angles P-C4'-P energy: -27.770
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: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -327.268108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.268108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.268108 (E_RNA)
where:
Base-Base interactions energy: -104.622
where: short stacking energy: -82.614
Base-Backbone interact. energy: 5.995
local terms energy: -228.640941
where:
bonds (distance) C4'-P energy: -74.269
bonds (distance) P-C4' energy: -74.044
flat angles C4'-P-C4' energy: -64.444
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: 8.114
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1355.567782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.567782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.567782 (E_RNA)
where:
Base-Base interactions energy: -933.922
where: short stacking energy: -403.109
Base-Backbone interact. energy: 0.292
local terms energy: -421.938225
where:
bonds (distance) C4'-P energy: -74.311
bonds (distance) P-C4' energy: -69.128
flat angles C4'-P-C4' energy: -92.256
flat angles P-C4'-P energy: -63.259
tors. eta vs tors. theta energy: -122.985
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: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1319.896032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.896032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.896032 (E_RNA)
where:
Base-Base interactions energy: -899.024
where: short stacking energy: -372.071
Base-Backbone interact. energy: 1.149
local terms energy: -422.021270
where:
bonds (distance) C4'-P energy: -77.227
bonds (distance) P-C4' energy: -88.391
flat angles C4'-P-C4' energy: -87.375
flat angles P-C4'-P energy: -52.228
tors. eta vs tors. theta energy: -116.800
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: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1274.513772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.513772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.513772 (E_RNA)
where:
Base-Base interactions energy: -885.228
where: short stacking energy: -369.379
Base-Backbone interact. energy: -0.847
local terms energy: -388.438389
where:
bonds (distance) C4'-P energy: -72.482
bonds (distance) P-C4' energy: -73.256
flat angles C4'-P-C4' energy: -79.664
flat angles P-C4'-P energy: -63.918
tors. eta vs tors. theta energy: -99.117
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: 237
Temperature: 1.050000
Total energy: -1244.615696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.615696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.615696 (E_RNA)
where:
Base-Base interactions energy: -845.119
where: short stacking energy: -352.997
Base-Backbone interact. energy: -2.248
local terms energy: -397.248698
where:
bonds (distance) C4'-P energy: -70.087
bonds (distance) P-C4' energy: -75.389
flat angles C4'-P-C4' energy: -87.815
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: -110.853
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: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1163.662740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.662740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.662740 (E_RNA)
where:
Base-Base interactions energy: -775.850
where: short stacking energy: -355.688
Base-Backbone interact. energy: -1.071
local terms energy: -386.742371
where:
bonds (distance) C4'-P energy: -68.686
bonds (distance) P-C4' energy: -81.679
flat angles C4'-P-C4' energy: -78.176
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: -100.767
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: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1004.637358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.637358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.637358 (E_RNA)
where:
Base-Base interactions energy: -664.158
where: short stacking energy: -285.028
Base-Backbone interact. energy: -0.887
local terms energy: -339.592182
where:
bonds (distance) C4'-P energy: -68.231
bonds (distance) P-C4' energy: -80.431
flat angles C4'-P-C4' energy: -60.053
flat angles P-C4'-P energy: -55.175
tors. eta vs tors. theta energy: -75.703
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: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -806.308420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.308420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.308420 (E_RNA)
where:
Base-Base interactions energy: -514.671
where: short stacking energy: -256.585
Base-Backbone interact. energy: -2.815
local terms energy: -288.821704
where:
bonds (distance) C4'-P energy: -47.434
bonds (distance) P-C4' energy: -56.203
flat angles C4'-P-C4' energy: -78.246
flat angles P-C4'-P energy: -51.653
tors. eta vs tors. theta energy: -55.286
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: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -532.032603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.032603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.032603 (E_RNA)
where:
Base-Base interactions energy: -290.078
where: short stacking energy: -148.948
Base-Backbone interact. energy: 1.459
local terms energy: -243.413484
where:
bonds (distance) C4'-P energy: -79.439
bonds (distance) P-C4' energy: -64.922
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -45.919
tors. eta vs tors. theta energy: -13.108
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: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -341.830828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.830828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.830828 (E_RNA)
where:
Base-Base interactions energy: -113.703
where: short stacking energy: -95.741
Base-Backbone interact. energy: -0.901
local terms energy: -227.226372
where:
bonds (distance) C4'-P energy: -49.800
bonds (distance) P-C4' energy: -85.872
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -35.480
tors. eta vs tors. theta energy: 8.403
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: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -307.704301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.704301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.704301 (E_RNA)
where:
Base-Base interactions energy: -101.952
where: short stacking energy: -84.158
Base-Backbone interact. energy: -2.646
local terms energy: -203.105823
where:
bonds (distance) C4'-P energy: -65.838
bonds (distance) P-C4' energy: -70.021
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: 6.120
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: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1380.428049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.428049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.428049 (E_RNA)
where:
Base-Base interactions energy: -947.445
where: short stacking energy: -412.480
Base-Backbone interact. energy: 0.548
local terms energy: -433.530997
where:
bonds (distance) C4'-P energy: -85.522
bonds (distance) P-C4' energy: -82.368
flat angles C4'-P-C4' energy: -89.407
flat angles P-C4'-P energy: -55.173
tors. eta vs tors. theta energy: -121.061
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: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1333.287892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.287892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.287892 (E_RNA)
where:
Base-Base interactions energy: -936.525
where: short stacking energy: -379.438
Base-Backbone interact. energy: 0.450
local terms energy: -397.213704
where:
bonds (distance) C4'-P energy: -83.986
bonds (distance) P-C4' energy: -73.651
flat angles C4'-P-C4' energy: -80.972
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -104.765
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: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1275.579218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.579218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.579218 (E_RNA)
where:
Base-Base interactions energy: -867.224
where: short stacking energy: -356.614
Base-Backbone interact. energy: -2.295
local terms energy: -406.059946
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -80.040
flat angles C4'-P-C4' energy: -89.136
flat angles P-C4'-P energy: -57.899
tors. eta vs tors. theta energy: -110.317
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1222.559995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.559995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.559995 (E_RNA)
where:
Base-Base interactions energy: -836.732
where: short stacking energy: -337.253
Base-Backbone interact. energy: -0.343
local terms energy: -385.484286
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -69.902
flat angles C4'-P-C4' energy: -83.202
flat angles P-C4'-P energy: -57.299
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: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1101.137396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.137396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.137396 (E_RNA)
where:
Base-Base interactions energy: -708.280
where: short stacking energy: -322.547
Base-Backbone interact. energy: -1.491
local terms energy: -391.366395
where:
bonds (distance) C4'-P energy: -68.357
bonds (distance) P-C4' energy: -79.919
flat angles C4'-P-C4' energy: -85.397
flat angles P-C4'-P energy: -57.186
tors. eta vs tors. theta energy: -100.507
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: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -973.499284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.499284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.499284 (E_RNA)
where:
Base-Base interactions energy: -635.659
where: short stacking energy: -261.718
Base-Backbone interact. energy: -1.834
local terms energy: -336.006879
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -69.500
flat angles C4'-P-C4' energy: -64.596
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -61.671
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: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -783.720505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.720505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.720505 (E_RNA)
where:
Base-Base interactions energy: -498.168
where: short stacking energy: -206.729
Base-Backbone interact. energy: 4.528
local terms energy: -290.080597
where:
bonds (distance) C4'-P energy: -72.205
bonds (distance) P-C4' energy: -73.838
flat angles C4'-P-C4' energy: -62.399
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -39.386
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: 238
Temperature: 1.250000
Total energy: -507.267420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.267420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.267420 (E_RNA)
where:
Base-Base interactions energy: -221.795
where: short stacking energy: -132.160
Base-Backbone interact. energy: 0.328
local terms energy: -285.800556
where:
bonds (distance) C4'-P energy: -78.658
bonds (distance) P-C4' energy: -72.075
flat angles C4'-P-C4' energy: -65.278
flat angles P-C4'-P energy: -49.413
tors. eta vs tors. theta energy: -20.377
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -340.522502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.522502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.522502 (E_RNA)
where:
Base-Base interactions energy: -114.134
where: short stacking energy: -81.989
Base-Backbone interact. energy: -0.601
local terms energy: -225.788123
where:
bonds (distance) C4'-P energy: -62.659
bonds (distance) P-C4' energy: -69.101
flat angles C4'-P-C4' energy: -61.016
flat angles P-C4'-P energy: -30.826
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: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -311.334198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.334198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.334198 (E_RNA)
where:
Base-Base interactions energy: -99.134
where: short stacking energy: -89.320
Base-Backbone interact. energy: 2.410
local terms energy: -214.610628
where:
bonds (distance) C4'-P energy: -60.660
bonds (distance) P-C4' energy: -65.977
flat angles C4'-P-C4' energy: -56.477
flat angles P-C4'-P energy: -34.063
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: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1356.446231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.446231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.446231 (E_RNA)
where:
Base-Base interactions energy: -938.173
where: short stacking energy: -383.523
Base-Backbone interact. energy: -0.313
local terms energy: -417.960099
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -79.249
flat angles C4'-P-C4' energy: -86.958
flat angles P-C4'-P energy: -51.878
tors. eta vs tors. theta energy: -121.693
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: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1336.366320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.366320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.366320 (E_RNA)
where:
Base-Base interactions energy: -923.655
where: short stacking energy: -380.261
Base-Backbone interact. energy: -0.495
local terms energy: -412.216145
where:
bonds (distance) C4'-P energy: -84.659
bonds (distance) P-C4' energy: -71.494
flat angles C4'-P-C4' energy: -88.918
flat angles P-C4'-P energy: -53.755
tors. eta vs tors. theta energy: -113.391
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: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1298.340210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.340210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.340210 (E_RNA)
where:
Base-Base interactions energy: -896.144
where: short stacking energy: -378.812
Base-Backbone interact. energy: -1.062
local terms energy: -401.134266
where:
bonds (distance) C4'-P energy: -68.285
bonds (distance) P-C4' energy: -76.898
flat angles C4'-P-C4' energy: -84.711
flat angles P-C4'-P energy: -60.410
tors. eta vs tors. theta energy: -110.830
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: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1225.835535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.835535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.835535 (E_RNA)
where:
Base-Base interactions energy: -836.300
where: short stacking energy: -352.061
Base-Backbone interact. energy: -1.520
local terms energy: -388.015261
where:
bonds (distance) C4'-P energy: -66.844
bonds (distance) P-C4' energy: -71.388
flat angles C4'-P-C4' energy: -91.736
flat angles P-C4'-P energy: -52.932
tors. eta vs tors. theta energy: -105.114
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: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1161.444051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.444051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.444051 (E_RNA)
where:
Base-Base interactions energy: -773.420
where: short stacking energy: -360.841
Base-Backbone interact. energy: -1.216
local terms energy: -386.807852
where:
bonds (distance) C4'-P energy: -73.601
bonds (distance) P-C4' energy: -75.051
flat angles C4'-P-C4' energy: -77.654
flat angles P-C4'-P energy: -50.237
tors. eta vs tors. theta energy: -110.265
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: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -956.373385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.373385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.373385 (E_RNA)
where:
Base-Base interactions energy: -587.464
where: short stacking energy: -249.104
Base-Backbone interact. energy: -1.171
local terms energy: -367.737773
where:
bonds (distance) C4'-P energy: -74.830
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -81.035
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: -74.903
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -767.205775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.205775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.205775 (E_RNA)
where:
Base-Base interactions energy: -479.184
where: short stacking energy: -199.993
Base-Backbone interact. energy: 3.386
local terms energy: -291.407693
where:
bonds (distance) C4'-P energy: -66.413
bonds (distance) P-C4' energy: -72.425
flat angles C4'-P-C4' energy: -69.763
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -34.694
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: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -492.715558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.715558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.715558 (E_RNA)
where:
Base-Base interactions energy: -232.806
where: short stacking energy: -133.150
Base-Backbone interact. energy: 0.292
local terms energy: -260.202019
where:
bonds (distance) C4'-P energy: -69.469
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -63.845
flat angles P-C4'-P energy: -55.587
tors. eta vs tors. theta energy: -12.600
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: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -373.970394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.970394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.970394 (E_RNA)
where:
Base-Base interactions energy: -147.929
where: short stacking energy: -121.867
Base-Backbone interact. energy: -3.785
local terms energy: -222.255735
where:
bonds (distance) C4'-P energy: -61.075
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -52.671
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -4.794
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: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -318.556851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.556851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.556851 (E_RNA)
where:
Base-Base interactions energy: -98.032
where: short stacking energy: -67.181
Base-Backbone interact. energy: 3.560
local terms energy: -224.084909
where:
bonds (distance) C4'-P energy: -57.684
bonds (distance) P-C4' energy: -82.713
flat angles C4'-P-C4' energy: -66.865
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: 11.249
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1390.333840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.333840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.333840 (E_RNA)
where:
Base-Base interactions energy: -973.190
where: short stacking energy: -392.578
Base-Backbone interact. energy: 1.726
local terms energy: -418.869856
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -89.266
flat angles C4'-P-C4' energy: -80.413
flat angles P-C4'-P energy: -55.419
tors. eta vs tors. theta energy: -110.505
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: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1307.002451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.002451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.002451 (E_RNA)
where:
Base-Base interactions energy: -896.122
where: short stacking energy: -391.310
Base-Backbone interact. energy: -0.754
local terms energy: -410.126232
where:
bonds (distance) C4'-P energy: -78.643
bonds (distance) P-C4' energy: -77.685
flat angles C4'-P-C4' energy: -76.895
flat angles P-C4'-P energy: -53.749
tors. eta vs tors. theta energy: -123.154
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: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1314.028123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.028123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.028123 (E_RNA)
where:
Base-Base interactions energy: -906.675
where: short stacking energy: -382.490
Base-Backbone interact. energy: -1.123
local terms energy: -406.229969
where:
bonds (distance) C4'-P energy: -65.925
bonds (distance) P-C4' energy: -81.087
flat angles C4'-P-C4' energy: -84.585
flat angles P-C4'-P energy: -63.826
tors. eta vs tors. theta energy: -110.807
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: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1215.664987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.664987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.664987 (E_RNA)
where:
Base-Base interactions energy: -839.024
where: short stacking energy: -350.005
Base-Backbone interact. energy: -1.233
local terms energy: -375.407680
where:
bonds (distance) C4'-P energy: -73.182
bonds (distance) P-C4' energy: -70.671
flat angles C4'-P-C4' energy: -71.683
flat angles P-C4'-P energy: -49.190
tors. eta vs tors. theta energy: -110.682
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: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1164.776215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.776215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.776215 (E_RNA)
where:
Base-Base interactions energy: -779.771
where: short stacking energy: -356.083
Base-Backbone interact. energy: -0.903
local terms energy: -384.102245
where:
bonds (distance) C4'-P energy: -66.320
bonds (distance) P-C4' energy: -65.895
flat angles C4'-P-C4' energy: -86.919
flat angles P-C4'-P energy: -54.006
tors. eta vs tors. theta energy: -110.962
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: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -988.927153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.927153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.927153 (E_RNA)
where:
Base-Base interactions energy: -641.181
where: short stacking energy: -268.090
Base-Backbone interact. energy: -1.333
local terms energy: -346.413221
where:
bonds (distance) C4'-P energy: -82.488
bonds (distance) P-C4' energy: -66.871
flat angles C4'-P-C4' energy: -77.554
flat angles P-C4'-P energy: -51.361
tors. eta vs tors. theta energy: -68.141
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: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -800.694015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.694015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.694015 (E_RNA)
where:
Base-Base interactions energy: -492.491
where: short stacking energy: -208.562
Base-Backbone interact. energy: -3.534
local terms energy: -304.669775
where:
bonds (distance) C4'-P energy: -66.813
bonds (distance) P-C4' energy: -70.598
flat angles C4'-P-C4' energy: -75.503
flat angles P-C4'-P energy: -43.312
tors. eta vs tors. theta energy: -48.444
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: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -502.128491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.128491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.128491 (E_RNA)
where:
Base-Base interactions energy: -243.624
where: short stacking energy: -152.144
Base-Backbone interact. energy: -0.012
local terms energy: -258.492160
where:
bonds (distance) C4'-P energy: -56.514
bonds (distance) P-C4' energy: -66.359
flat angles C4'-P-C4' energy: -68.077
flat angles P-C4'-P energy: -48.135
tors. eta vs tors. theta energy: -19.407
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: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -358.722344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.722344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.722344 (E_RNA)
where:
Base-Base interactions energy: -153.264
where: short stacking energy: -110.194
Base-Backbone interact. energy: 0.454
local terms energy: -205.912646
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -73.222
flat angles C4'-P-C4' energy: -59.304
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: 7.372
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: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -324.282116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.282116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.282116 (E_RNA)
where:
Base-Base interactions energy: -113.681
where: short stacking energy: -69.346
Base-Backbone interact. energy: -2.361
local terms energy: -208.240961
where:
bonds (distance) C4'-P energy: -71.180
bonds (distance) P-C4' energy: -69.849
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: 17.800
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: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1374.487525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.487525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.487525 (E_RNA)
where:
Base-Base interactions energy: -944.501
where: short stacking energy: -379.762
Base-Backbone interact. energy: 0.159
local terms energy: -430.145166
where:
bonds (distance) C4'-P energy: -79.006
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -98.077
flat angles P-C4'-P energy: -59.116
tors. eta vs tors. theta energy: -117.205
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: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1319.489420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.489420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.489420 (E_RNA)
where:
Base-Base interactions energy: -899.120
where: short stacking energy: -359.817
Base-Backbone interact. energy: 0.556
local terms energy: -420.925521
where:
bonds (distance) C4'-P energy: -77.275
bonds (distance) P-C4' energy: -83.713
flat angles C4'-P-C4' energy: -85.165
flat angles P-C4'-P energy: -57.082
tors. eta vs tors. theta energy: -117.691
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: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1279.185207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.185207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.185207 (E_RNA)
where:
Base-Base interactions energy: -869.990
where: short stacking energy: -344.750
Base-Backbone interact. energy: -2.786
local terms energy: -406.409193
where:
bonds (distance) C4'-P energy: -85.422
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -81.904
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -107.128
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: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1268.664979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.664979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.664979 (E_RNA)
where:
Base-Base interactions energy: -853.040
where: short stacking energy: -350.149
Base-Backbone interact. energy: -1.801
local terms energy: -413.824701
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -86.219
flat angles C4'-P-C4' energy: -89.954
flat angles P-C4'-P energy: -54.411
tors. eta vs tors. theta energy: -120.385
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: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1153.221776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.221776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.221776 (E_RNA)
where:
Base-Base interactions energy: -770.533
where: short stacking energy: -336.985
Base-Backbone interact. energy: -0.435
local terms energy: -382.253288
where:
bonds (distance) C4'-P energy: -68.768
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -90.119
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -102.808
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: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -974.097570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.097570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.097570 (E_RNA)
where:
Base-Base interactions energy: -637.143
where: short stacking energy: -273.369
Base-Backbone interact. energy: -2.105
local terms energy: -334.849865
where:
bonds (distance) C4'-P energy: -68.071
bonds (distance) P-C4' energy: -77.410
flat angles C4'-P-C4' energy: -75.751
flat angles P-C4'-P energy: -44.379
tors. eta vs tors. theta energy: -69.239
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: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -763.913989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.913989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.913989 (E_RNA)
where:
Base-Base interactions energy: -487.154
where: short stacking energy: -218.057
Base-Backbone interact. energy: 0.727
local terms energy: -277.486905
where:
bonds (distance) C4'-P energy: -55.199
bonds (distance) P-C4' energy: -69.356
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -44.204
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: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -479.653184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.653184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.653184 (E_RNA)
where:
Base-Base interactions energy: -221.421
where: short stacking energy: -143.950
Base-Backbone interact. energy: 3.097
local terms energy: -261.329405
where:
bonds (distance) C4'-P energy: -51.828
bonds (distance) P-C4' energy: -74.692
flat angles C4'-P-C4' energy: -69.243
flat angles P-C4'-P energy: -58.983
tors. eta vs tors. theta energy: -6.584
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: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -367.861820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.861820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.861820 (E_RNA)
where:
Base-Base interactions energy: -125.633
where: short stacking energy: -95.203
Base-Backbone interact. energy: 1.108
local terms energy: -243.336701
where:
bonds (distance) C4'-P energy: -73.451
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -70.955
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: 11.339
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -310.781134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.781134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.781134 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -95.643
Base-Backbone interact. energy: 1.666
local terms energy: -198.797225
where:
bonds (distance) C4'-P energy: -69.806
bonds (distance) P-C4' energy: -65.123
flat angles C4'-P-C4' energy: -44.742
flat angles P-C4'-P energy: -33.733
tors. eta vs tors. theta energy: 14.607
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: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1383.156079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.156079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.156079 (E_RNA)
where:
Base-Base interactions energy: -956.020
where: short stacking energy: -377.501
Base-Backbone interact. energy: -2.362
local terms energy: -424.773998
where:
bonds (distance) C4'-P energy: -71.643
bonds (distance) P-C4' energy: -77.842
flat angles C4'-P-C4' energy: -92.276
flat angles P-C4'-P energy: -64.814
tors. eta vs tors. theta energy: -118.200
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: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1300.527409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.527409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.527409 (E_RNA)
where:
Base-Base interactions energy: -898.962
where: short stacking energy: -370.453
Base-Backbone interact. energy: 3.265
local terms energy: -404.830517
where:
bonds (distance) C4'-P energy: -70.157
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -84.421
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -116.727
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: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1285.262333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.262333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.262333 (E_RNA)
where:
Base-Base interactions energy: -895.794
where: short stacking energy: -377.200
Base-Backbone interact. energy: -1.677
local terms energy: -387.791461
where:
bonds (distance) C4'-P energy: -76.323
bonds (distance) P-C4' energy: -65.496
flat angles C4'-P-C4' energy: -77.478
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -109.995
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1211.383734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.383734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.383734 (E_RNA)
where:
Base-Base interactions energy: -846.894
where: short stacking energy: -362.822
Base-Backbone interact. energy: -1.092
local terms energy: -363.396947
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -59.040
flat angles C4'-P-C4' energy: -77.916
flat angles P-C4'-P energy: -55.316
tors. eta vs tors. theta energy: -106.810
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: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1161.002853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.002853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.002853 (E_RNA)
where:
Base-Base interactions energy: -780.778
where: short stacking energy: -355.781
Base-Backbone interact. energy: -0.459
local terms energy: -379.765244
where:
bonds (distance) C4'-P energy: -64.310
bonds (distance) P-C4' energy: -71.553
flat angles C4'-P-C4' energy: -78.826
flat angles P-C4'-P energy: -57.442
tors. eta vs tors. theta energy: -107.635
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: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -914.995792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.995792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.995792 (E_RNA)
where:
Base-Base interactions energy: -590.939
where: short stacking energy: -250.604
Base-Backbone interact. energy: -3.046
local terms energy: -321.010105
where:
bonds (distance) C4'-P energy: -72.950
bonds (distance) P-C4' energy: -64.787
flat angles C4'-P-C4' energy: -67.888
flat angles P-C4'-P energy: -56.112
tors. eta vs tors. theta energy: -59.273
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -757.393069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.393069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.393069 (E_RNA)
where:
Base-Base interactions energy: -503.338
where: short stacking energy: -205.777
Base-Backbone interact. energy: -2.107
local terms energy: -251.947707
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -53.269
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -38.035
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: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -492.935866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.935866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.935866 (E_RNA)
where:
Base-Base interactions energy: -229.344
where: short stacking energy: -132.574
Base-Backbone interact. energy: -0.856
local terms energy: -262.736154
where:
bonds (distance) C4'-P energy: -67.585
bonds (distance) P-C4' energy: -76.537
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -34.724
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: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -341.958928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.958928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.958928 (E_RNA)
where:
Base-Base interactions energy: -120.383
where: short stacking energy: -83.733
Base-Backbone interact. energy: -1.171
local terms energy: -220.405207
where:
bonds (distance) C4'-P energy: -61.025
bonds (distance) P-C4' energy: -77.589
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -37.448
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: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -306.168630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.168630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.168630 (E_RNA)
where:
Base-Base interactions energy: -76.724
where: short stacking energy: -63.713
Base-Backbone interact. energy: 3.178
local terms energy: -232.623129
where:
bonds (distance) C4'-P energy: -63.487
bonds (distance) P-C4' energy: -78.043
flat angles C4'-P-C4' energy: -72.301
flat angles P-C4'-P energy: -33.891
tors. eta vs tors. theta energy: 15.099
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: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1381.412715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.412715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.412715 (E_RNA)
where:
Base-Base interactions energy: -964.721
where: short stacking energy: -394.103
Base-Backbone interact. energy: 0.315
local terms energy: -417.006915
where:
bonds (distance) C4'-P energy: -78.986
bonds (distance) P-C4' energy: -80.633
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -63.565
tors. eta vs tors. theta energy: -110.510
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: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1314.448241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.448241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.448241 (E_RNA)
where:
Base-Base interactions energy: -908.956
where: short stacking energy: -384.892
Base-Backbone interact. energy: 3.358
local terms energy: -408.850101
where:
bonds (distance) C4'-P energy: -72.311
bonds (distance) P-C4' energy: -80.072
flat angles C4'-P-C4' energy: -88.103
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -112.130
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: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1250.869530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.869530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.869530 (E_RNA)
where:
Base-Base interactions energy: -848.768
where: short stacking energy: -352.959
Base-Backbone interact. energy: -0.229
local terms energy: -401.872558
where:
bonds (distance) C4'-P energy: -87.535
bonds (distance) P-C4' energy: -79.407
flat angles C4'-P-C4' energy: -76.294
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -106.976
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: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1224.515749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.515749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.515749 (E_RNA)
where:
Base-Base interactions energy: -847.798
where: short stacking energy: -358.857
Base-Backbone interact. energy: -2.637
local terms energy: -374.080122
where:
bonds (distance) C4'-P energy: -81.242
bonds (distance) P-C4' energy: -69.147
flat angles C4'-P-C4' energy: -74.276
flat angles P-C4'-P energy: -54.323
tors. eta vs tors. theta energy: -95.091
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: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1136.109829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.109829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.109829 (E_RNA)
where:
Base-Base interactions energy: -738.016
where: short stacking energy: -341.907
Base-Backbone interact. energy: -1.128
local terms energy: -396.964878
where:
bonds (distance) C4'-P energy: -82.992
bonds (distance) P-C4' energy: -74.443
flat angles C4'-P-C4' energy: -83.071
flat angles P-C4'-P energy: -45.184
tors. eta vs tors. theta energy: -111.276
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: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -959.032422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.032422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.032422 (E_RNA)
where:
Base-Base interactions energy: -608.371
where: short stacking energy: -281.663
Base-Backbone interact. energy: -1.508
local terms energy: -349.153751
where:
bonds (distance) C4'-P energy: -80.179
bonds (distance) P-C4' energy: -69.945
flat angles C4'-P-C4' energy: -73.839
flat angles P-C4'-P energy: -53.931
tors. eta vs tors. theta energy: -71.260
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: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -743.065711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.065711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.065711 (E_RNA)
where:
Base-Base interactions energy: -444.688
where: short stacking energy: -196.959
Base-Backbone interact. energy: 0.981
local terms energy: -299.359304
where:
bonds (distance) C4'-P energy: -74.387
bonds (distance) P-C4' energy: -78.403
flat angles C4'-P-C4' energy: -60.792
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -39.263
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: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -483.055989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.055989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.055989 (E_RNA)
where:
Base-Base interactions energy: -244.449
where: short stacking energy: -152.578
Base-Backbone interact. energy: -2.204
local terms energy: -236.403392
where:
bonds (distance) C4'-P energy: -47.327
bonds (distance) P-C4' energy: -68.066
flat angles C4'-P-C4' energy: -70.708
flat angles P-C4'-P energy: -48.986
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)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -333.935044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.935044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.935044 (E_RNA)
where:
Base-Base interactions energy: -126.244
where: short stacking energy: -101.298
Base-Backbone interact. energy: -0.343
local terms energy: -207.348243
where:
bonds (distance) C4'-P energy: -73.512
bonds (distance) P-C4' energy: -58.184
flat angles C4'-P-C4' energy: -52.373
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: 6.093
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: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -321.417317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.417317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.417317 (E_RNA)
where:
Base-Base interactions energy: -103.665
where: short stacking energy: -80.785
Base-Backbone interact. energy: 2.394
local terms energy: -220.146262
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -64.001
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: -0.982
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: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1366.397318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.397318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.397318 (E_RNA)
where:
Base-Base interactions energy: -949.421
where: short stacking energy: -381.732
Base-Backbone interact. energy: 2.126
local terms energy: -419.102112
where:
bonds (distance) C4'-P energy: -75.733
bonds (distance) P-C4' energy: -82.123
flat angles C4'-P-C4' energy: -92.167
flat angles P-C4'-P energy: -59.236
tors. eta vs tors. theta energy: -109.843
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: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1311.566701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.566701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.566701 (E_RNA)
where:
Base-Base interactions energy: -894.043
where: short stacking energy: -385.915
Base-Backbone interact. energy: -1.309
local terms energy: -416.214732
where:
bonds (distance) C4'-P energy: -79.739
bonds (distance) P-C4' energy: -73.963
flat angles C4'-P-C4' energy: -83.721
flat angles P-C4'-P energy: -62.486
tors. eta vs tors. theta energy: -116.305
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: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1274.434431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.434431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.434431 (E_RNA)
where:
Base-Base interactions energy: -893.785
where: short stacking energy: -362.317
Base-Backbone interact. energy: -1.373
local terms energy: -379.276396
where:
bonds (distance) C4'-P energy: -71.677
bonds (distance) P-C4' energy: -76.147
flat angles C4'-P-C4' energy: -81.766
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -97.673
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1247.056801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.056801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.056801 (E_RNA)
where:
Base-Base interactions energy: -850.653
where: short stacking energy: -350.710
Base-Backbone interact. energy: -1.869
local terms energy: -394.534701
where:
bonds (distance) C4'-P energy: -81.533
bonds (distance) P-C4' energy: -76.878
flat angles C4'-P-C4' energy: -85.394
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -109.024
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: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1140.143762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.143762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.143762 (E_RNA)
where:
Base-Base interactions energy: -769.677
where: short stacking energy: -363.812
Base-Backbone interact. energy: 1.711
local terms energy: -372.178321
where:
bonds (distance) C4'-P energy: -79.219
bonds (distance) P-C4' energy: -59.083
flat angles C4'-P-C4' energy: -77.878
flat angles P-C4'-P energy: -58.142
tors. eta vs tors. theta energy: -97.856
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: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -908.529278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.529278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.529278 (E_RNA)
where:
Base-Base interactions energy: -593.745
where: short stacking energy: -245.030
Base-Backbone interact. energy: -0.468
local terms energy: -314.315992
where:
bonds (distance) C4'-P energy: -62.613
bonds (distance) P-C4' energy: -68.894
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -59.819
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: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -795.018006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.018006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.018006 (E_RNA)
where:
Base-Base interactions energy: -484.799
where: short stacking energy: -215.095
Base-Backbone interact. energy: -3.008
local terms energy: -307.211010
where:
bonds (distance) C4'-P energy: -73.130
bonds (distance) P-C4' energy: -72.197
flat angles C4'-P-C4' energy: -75.203
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -48.632
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: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -561.258459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.258459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.258459 (E_RNA)
where:
Base-Base interactions energy: -299.341
where: short stacking energy: -134.646
Base-Backbone interact. energy: -1.488
local terms energy: -260.429989
where:
bonds (distance) C4'-P energy: -60.253
bonds (distance) P-C4' energy: -73.122
flat angles C4'-P-C4' energy: -77.624
flat angles P-C4'-P energy: -39.387
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: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -334.212962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.212962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.212962 (E_RNA)
where:
Base-Base interactions energy: -143.931
where: short stacking energy: -88.900
Base-Backbone interact. energy: -1.564
local terms energy: -188.718287
where:
bonds (distance) C4'-P energy: -62.207
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -54.154
flat angles P-C4'-P energy: -32.478
tors. eta vs tors. theta energy: 11.666
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: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -307.644736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.644736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.644736 (E_RNA)
where:
Base-Base interactions energy: -95.266
where: short stacking energy: -81.149
Base-Backbone interact. energy: -2.663
local terms energy: -209.715519
where:
bonds (distance) C4'-P energy: -67.586
bonds (distance) P-C4' energy: -74.771
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -40.825
tors. eta vs tors. theta energy: 12.739
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: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1386.600425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.600425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.600425 (E_RNA)
where:
Base-Base interactions energy: -963.907
where: short stacking energy: -382.928
Base-Backbone interact. energy: 0.606
local terms energy: -423.299218
where:
bonds (distance) C4'-P energy: -82.859
bonds (distance) P-C4' energy: -83.244
flat angles C4'-P-C4' energy: -91.277
flat angles P-C4'-P energy: -54.062
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: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1331.544473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.544473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.544473 (E_RNA)
where:
Base-Base interactions energy: -913.588
where: short stacking energy: -384.825
Base-Backbone interact. energy: 0.453
local terms energy: -418.409451
where:
bonds (distance) C4'-P energy: -76.828
bonds (distance) P-C4' energy: -81.300
flat angles C4'-P-C4' energy: -87.073
flat angles P-C4'-P energy: -56.727
tors. eta vs tors. theta energy: -116.482
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1275.199536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.199536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.199536 (E_RNA)
where:
Base-Base interactions energy: -883.942
where: short stacking energy: -357.167
Base-Backbone interact. energy: -1.415
local terms energy: -389.842372
where:
bonds (distance) C4'-P energy: -71.222
bonds (distance) P-C4' energy: -72.763
flat angles C4'-P-C4' energy: -79.352
flat angles P-C4'-P energy: -65.551
tors. eta vs tors. theta energy: -100.955
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: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1231.241269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.241269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.241269 (E_RNA)
where:
Base-Base interactions energy: -848.408
where: short stacking energy: -335.794
Base-Backbone interact. energy: -0.973
local terms energy: -381.861165
where:
bonds (distance) C4'-P energy: -73.356
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -78.138
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -103.573
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: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1096.245713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.245713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.245713 (E_RNA)
where:
Base-Base interactions energy: -727.960
where: short stacking energy: -338.387
Base-Backbone interact. energy: -0.916
local terms energy: -367.369769
where:
bonds (distance) C4'-P energy: -69.716
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -82.016
flat angles P-C4'-P energy: -55.102
tors. eta vs tors. theta energy: -94.092
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: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -947.935017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.935017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.935017 (E_RNA)
where:
Base-Base interactions energy: -627.689
where: short stacking energy: -237.752
Base-Backbone interact. energy: -2.723
local terms energy: -317.523465
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -72.221
flat angles C4'-P-C4' energy: -65.411
flat angles P-C4'-P energy: -49.691
tors. eta vs tors. theta energy: -59.979
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: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -764.121101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.121101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.121101 (E_RNA)
where:
Base-Base interactions energy: -477.628
where: short stacking energy: -221.430
Base-Backbone interact. energy: 3.986
local terms energy: -290.478875
where:
bonds (distance) C4'-P energy: -60.038
bonds (distance) P-C4' energy: -74.883
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -41.601
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: 245
Temperature: 1.250000
Total energy: -481.914418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.914418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.914418 (E_RNA)
where:
Base-Base interactions energy: -219.004
where: short stacking energy: -123.298
Base-Backbone interact. energy: 0.463
local terms energy: -263.372874
where:
bonds (distance) C4'-P energy: -57.309
bonds (distance) P-C4' energy: -72.731
flat angles C4'-P-C4' energy: -70.559
flat angles P-C4'-P energy: -50.034
tors. eta vs tors. theta energy: -12.739
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: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -341.102606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.102606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.102606 (E_RNA)
where:
Base-Base interactions energy: -173.315
where: short stacking energy: -96.762
Base-Backbone interact. energy: -2.617
local terms energy: -165.170236
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -50.030
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: 22.951
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: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -302.846917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.846917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.846917 (E_RNA)
where:
Base-Base interactions energy: -100.145
where: short stacking energy: -78.886
Base-Backbone interact. energy: 2.941
local terms energy: -205.643164
where:
bonds (distance) C4'-P energy: -66.106
bonds (distance) P-C4' energy: -63.964
flat angles C4'-P-C4' energy: -45.952
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: 16.907
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: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1381.370710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.370710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.370710 (E_RNA)
where:
Base-Base interactions energy: -957.200
where: short stacking energy: -381.392
Base-Backbone interact. energy: 0.671
local terms energy: -424.841764
where:
bonds (distance) C4'-P energy: -83.263
bonds (distance) P-C4' energy: -80.228
flat angles C4'-P-C4' energy: -82.502
flat angles P-C4'-P energy: -66.699
tors. eta vs tors. theta energy: -112.149
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: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1316.432665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.432665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.432665 (E_RNA)
where:
Base-Base interactions energy: -895.855
where: short stacking energy: -391.181
Base-Backbone interact. energy: -1.152
local terms energy: -419.426180
where:
bonds (distance) C4'-P energy: -78.643
bonds (distance) P-C4' energy: -79.206
flat angles C4'-P-C4' energy: -85.050
flat angles P-C4'-P energy: -59.656
tors. eta vs tors. theta energy: -116.871
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: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1263.682158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.682158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.682158 (E_RNA)
where:
Base-Base interactions energy: -875.412
where: short stacking energy: -363.607
Base-Backbone interact. energy: -1.176
local terms energy: -387.094024
where:
bonds (distance) C4'-P energy: -72.001
bonds (distance) P-C4' energy: -74.095
flat angles C4'-P-C4' energy: -81.128
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: -110.741
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1261.899754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.899754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.899754 (E_RNA)
where:
Base-Base interactions energy: -871.196
where: short stacking energy: -351.292
Base-Backbone interact. energy: -1.086
local terms energy: -389.617423
where:
bonds (distance) C4'-P energy: -80.429
bonds (distance) P-C4' energy: -74.091
flat angles C4'-P-C4' energy: -79.820
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: -99.937
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1042.381696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.381696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.381696 (E_RNA)
where:
Base-Base interactions energy: -700.178
where: short stacking energy: -337.453
Base-Backbone interact. energy: 0.575
local terms energy: -342.777930
where:
bonds (distance) C4'-P energy: -69.577
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -73.574
flat angles P-C4'-P energy: -55.898
tors. eta vs tors. theta energy: -89.561
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: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -902.389519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.389519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.389519 (E_RNA)
where:
Base-Base interactions energy: -563.754
where: short stacking energy: -257.487
Base-Backbone interact. energy: -1.193
local terms energy: -337.442915
where:
bonds (distance) C4'-P energy: -70.547
bonds (distance) P-C4' energy: -70.023
flat angles C4'-P-C4' energy: -72.099
flat angles P-C4'-P energy: -49.831
tors. eta vs tors. theta energy: -74.944
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -783.641454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.641454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.641454 (E_RNA)
where:
Base-Base interactions energy: -468.147
where: short stacking energy: -211.891
Base-Backbone interact. energy: -1.835
local terms energy: -313.659778
where:
bonds (distance) C4'-P energy: -81.401
bonds (distance) P-C4' energy: -74.623
flat angles C4'-P-C4' energy: -70.521
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -43.832
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: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -455.861073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.861073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.861073 (E_RNA)
where:
Base-Base interactions energy: -201.003
where: short stacking energy: -136.326
Base-Backbone interact. energy: -2.307
local terms energy: -252.550825
where:
bonds (distance) C4'-P energy: -61.748
bonds (distance) P-C4' energy: -78.801
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -40.034
tors. eta vs tors. theta energy: -3.683
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: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -346.630275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.630275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.630275 (E_RNA)
where:
Base-Base interactions energy: -111.062
where: short stacking energy: -104.143
Base-Backbone interact. energy: -1.279
local terms energy: -234.289250
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -72.540
flat angles C4'-P-C4' energy: -49.673
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -4.346
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -328.013057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.013057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.013057 (E_RNA)
where:
Base-Base interactions energy: -120.400
where: short stacking energy: -103.655
Base-Backbone interact. energy: 1.363
local terms energy: -208.976286
where:
bonds (distance) C4'-P energy: -58.744
bonds (distance) P-C4' energy: -67.537
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -38.298
tors. eta vs tors. theta energy: 10.943
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: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1385.208553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.208553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.208553 (E_RNA)
where:
Base-Base interactions energy: -945.330
where: short stacking energy: -385.382
Base-Backbone interact. energy: -2.978
local terms energy: -436.900546
where:
bonds (distance) C4'-P energy: -84.882
bonds (distance) P-C4' energy: -88.177
flat angles C4'-P-C4' energy: -88.761
flat angles P-C4'-P energy: -62.126
tors. eta vs tors. theta energy: -112.955
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: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1322.897360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.897360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.897360 (E_RNA)
where:
Base-Base interactions energy: -897.683
where: short stacking energy: -376.120
Base-Backbone interact. energy: -2.351
local terms energy: -422.863632
where:
bonds (distance) C4'-P energy: -88.311
bonds (distance) P-C4' energy: -73.916
flat angles C4'-P-C4' energy: -88.067
flat angles P-C4'-P energy: -59.105
tors. eta vs tors. theta energy: -113.464
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: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1290.995880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.995880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.995880 (E_RNA)
where:
Base-Base interactions energy: -889.630
where: short stacking energy: -374.123
Base-Backbone interact. energy: -1.276
local terms energy: -400.089592
where:
bonds (distance) C4'-P energy: -72.180
bonds (distance) P-C4' energy: -76.223
flat angles C4'-P-C4' energy: -81.259
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -120.485
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: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1252.092597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.092597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.092597 (E_RNA)
where:
Base-Base interactions energy: -844.205
where: short stacking energy: -355.325
Base-Backbone interact. energy: -2.425
local terms energy: -405.462693
where:
bonds (distance) C4'-P energy: -77.113
bonds (distance) P-C4' energy: -80.406
flat angles C4'-P-C4' energy: -87.193
flat angles P-C4'-P energy: -52.875
tors. eta vs tors. theta energy: -107.875
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: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1078.176657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.176657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.176657 (E_RNA)
where:
Base-Base interactions energy: -688.222
where: short stacking energy: -310.122
Base-Backbone interact. energy: -0.035
local terms energy: -389.919357
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -77.826
flat angles C4'-P-C4' energy: -85.749
flat angles P-C4'-P energy: -60.851
tors. eta vs tors. theta energy: -84.537
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: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -929.734947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.734947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.734947 (E_RNA)
where:
Base-Base interactions energy: -599.096
where: short stacking energy: -263.048
Base-Backbone interact. energy: 0.444
local terms energy: -331.083126
where:
bonds (distance) C4'-P energy: -58.393
bonds (distance) P-C4' energy: -80.254
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -51.218
tors. eta vs tors. theta energy: -71.994
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: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -818.837340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.837340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.837340 (E_RNA)
where:
Base-Base interactions energy: -537.980
where: short stacking energy: -242.088
Base-Backbone interact. energy: -0.834
local terms energy: -280.022362
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -70.904
flat angles C4'-P-C4' energy: -62.248
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: -48.301
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: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -479.828975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.828975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.828975 (E_RNA)
where:
Base-Base interactions energy: -215.186
where: short stacking energy: -121.810
Base-Backbone interact. energy: 0.455
local terms energy: -265.097840
where:
bonds (distance) C4'-P energy: -67.055
bonds (distance) P-C4' energy: -85.372
flat angles C4'-P-C4' energy: -68.787
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -8.448
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: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -368.615358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.615358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.615358 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -103.138
Base-Backbone interact. energy: 0.743
local terms energy: -242.733798
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -77.033
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -40.893
tors. eta vs tors. theta energy: 1.686
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: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -349.705916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.705916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.705916 (E_RNA)
where:
Base-Base interactions energy: -130.659
where: short stacking energy: -111.152
Base-Backbone interact. energy: 0.184
local terms energy: -219.231494
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -54.412
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -0.095
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1391.092288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.092288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.092288 (E_RNA)
where:
Base-Base interactions energy: -960.460
where: short stacking energy: -392.691
Base-Backbone interact. energy: -1.834
local terms energy: -428.798004
where:
bonds (distance) C4'-P energy: -82.663
bonds (distance) P-C4' energy: -80.836
flat angles C4'-P-C4' energy: -89.300
flat angles P-C4'-P energy: -58.528
tors. eta vs tors. theta energy: -117.471
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: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1310.906770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.906770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.906770 (E_RNA)
where:
Base-Base interactions energy: -892.654
where: short stacking energy: -390.220
Base-Backbone interact. energy: 5.085
local terms energy: -423.338066
where:
bonds (distance) C4'-P energy: -83.265
bonds (distance) P-C4' energy: -80.610
flat angles C4'-P-C4' energy: -87.806
flat angles P-C4'-P energy: -59.758
tors. eta vs tors. theta energy: -111.899
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: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1305.143324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.143324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.143324 (E_RNA)
where:
Base-Base interactions energy: -907.205
where: short stacking energy: -366.353
Base-Backbone interact. energy: -0.981
local terms energy: -396.957413
where:
bonds (distance) C4'-P energy: -68.942
bonds (distance) P-C4' energy: -68.384
flat angles C4'-P-C4' energy: -87.711
flat angles P-C4'-P energy: -56.630
tors. eta vs tors. theta energy: -115.290
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: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1264.428216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.428216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.428216 (E_RNA)
where:
Base-Base interactions energy: -864.148
where: short stacking energy: -362.679
Base-Backbone interact. energy: -2.260
local terms energy: -398.019921
where:
bonds (distance) C4'-P energy: -70.267
bonds (distance) P-C4' energy: -88.125
flat angles C4'-P-C4' energy: -78.569
flat angles P-C4'-P energy: -42.915
tors. eta vs tors. theta energy: -118.144
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: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1047.357465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.357465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.357465 (E_RNA)
where:
Base-Base interactions energy: -681.910
where: short stacking energy: -331.650
Base-Backbone interact. energy: 1.103
local terms energy: -366.550911
where:
bonds (distance) C4'-P energy: -67.745
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -73.448
flat angles P-C4'-P energy: -50.089
tors. eta vs tors. theta energy: -101.875
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: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -914.279675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.279675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.279675 (E_RNA)
where:
Base-Base interactions energy: -560.927
where: short stacking energy: -238.469
Base-Backbone interact. energy: 0.219
local terms energy: -353.571191
where:
bonds (distance) C4'-P energy: -76.386
bonds (distance) P-C4' energy: -80.087
flat angles C4'-P-C4' energy: -83.308
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -66.267
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: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -799.199031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.199031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.199031 (E_RNA)
where:
Base-Base interactions energy: -490.887
where: short stacking energy: -214.560
Base-Backbone interact. energy: -1.928
local terms energy: -306.384274
where:
bonds (distance) C4'-P energy: -62.104
bonds (distance) P-C4' energy: -80.538
flat angles C4'-P-C4' energy: -72.794
flat angles P-C4'-P energy: -49.732
tors. eta vs tors. theta energy: -41.216
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: 248
Temperature: 1.250000
Total energy: -459.261880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.261880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.261880 (E_RNA)
where:
Base-Base interactions energy: -200.761
where: short stacking energy: -136.762
Base-Backbone interact. energy: -0.727
local terms energy: -257.773403
where:
bonds (distance) C4'-P energy: -71.555
bonds (distance) P-C4' energy: -71.072
flat angles C4'-P-C4' energy: -57.162
flat angles P-C4'-P energy: -34.996
tors. eta vs tors. theta energy: -22.988
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: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -325.892767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.892767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.892767 (E_RNA)
where:
Base-Base interactions energy: -112.544
where: short stacking energy: -109.433
Base-Backbone interact. energy: 0.644
local terms energy: -213.992919
where:
bonds (distance) C4'-P energy: -61.826
bonds (distance) P-C4' energy: -71.954
flat angles C4'-P-C4' energy: -59.283
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: 13.036
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: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -318.598847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.598847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.598847 (E_RNA)
where:
Base-Base interactions energy: -93.093
where: short stacking energy: -73.644
Base-Backbone interact. energy: -1.964
local terms energy: -223.541616
where:
bonds (distance) C4'-P energy: -57.166
bonds (distance) P-C4' energy: -71.678
flat angles C4'-P-C4' energy: -71.018
flat angles P-C4'-P energy: -39.080
tors. eta vs tors. theta energy: 15.401
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: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1392.391919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.391919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.391919 (E_RNA)
where:
Base-Base interactions energy: -969.573
where: short stacking energy: -374.418
Base-Backbone interact. energy: -3.452
local terms energy: -419.366938
where:
bonds (distance) C4'-P energy: -87.616
bonds (distance) P-C4' energy: -75.793
flat angles C4'-P-C4' energy: -84.551
flat angles P-C4'-P energy: -61.604
tors. eta vs tors. theta energy: -109.802
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1336.088326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.088326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.088326 (E_RNA)
where:
Base-Base interactions energy: -918.871
where: short stacking energy: -377.432
Base-Backbone interact. energy: -0.559
local terms energy: -416.658308
where:
bonds (distance) C4'-P energy: -72.404
bonds (distance) P-C4' energy: -79.130
flat angles C4'-P-C4' energy: -87.070
flat angles P-C4'-P energy: -57.883
tors. eta vs tors. theta energy: -120.171
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: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1269.002860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.002860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.002860 (E_RNA)
where:
Base-Base interactions energy: -861.218
where: short stacking energy: -369.566
Base-Backbone interact. energy: 0.115
local terms energy: -407.899277
where:
bonds (distance) C4'-P energy: -78.716
bonds (distance) P-C4' energy: -77.434
flat angles C4'-P-C4' energy: -76.756
flat angles P-C4'-P energy: -60.224
tors. eta vs tors. theta energy: -114.769
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: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1268.145955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.145955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.145955 (E_RNA)
where:
Base-Base interactions energy: -857.699
where: short stacking energy: -371.290
Base-Backbone interact. energy: -2.252
local terms energy: -408.194647
where:
bonds (distance) C4'-P energy: -73.284
bonds (distance) P-C4' energy: -76.049
flat angles C4'-P-C4' energy: -88.687
flat angles P-C4'-P energy: -52.198
tors. eta vs tors. theta energy: -117.977
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: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1091.399429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.399429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.399429 (E_RNA)
where:
Base-Base interactions energy: -718.958
where: short stacking energy: -313.497
Base-Backbone interact. energy: -1.378
local terms energy: -371.063847
where:
bonds (distance) C4'-P energy: -71.494
bonds (distance) P-C4' energy: -74.040
flat angles C4'-P-C4' energy: -76.362
flat angles P-C4'-P energy: -56.064
tors. eta vs tors. theta energy: -93.104
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: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -967.647619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.647619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.647619 (E_RNA)
where:
Base-Base interactions energy: -628.779
where: short stacking energy: -267.984
Base-Backbone interact. energy: -1.147
local terms energy: -337.721774
where:
bonds (distance) C4'-P energy: -65.884
bonds (distance) P-C4' energy: -69.229
flat angles C4'-P-C4' energy: -73.432
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -75.260
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: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -808.533841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.533841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.533841 (E_RNA)
where:
Base-Base interactions energy: -513.968
where: short stacking energy: -213.035
Base-Backbone interact. energy: -0.448
local terms energy: -294.117291
where:
bonds (distance) C4'-P energy: -70.481
bonds (distance) P-C4' energy: -63.702
flat angles C4'-P-C4' energy: -69.202
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -49.412
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: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -505.324987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.324987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.324987 (E_RNA)
where:
Base-Base interactions energy: -277.962
where: short stacking energy: -141.584
Base-Backbone interact. energy: 0.179
local terms energy: -227.541778
where:
bonds (distance) C4'-P energy: -66.762
bonds (distance) P-C4' energy: -72.982
flat angles C4'-P-C4' energy: -53.630
flat angles P-C4'-P energy: -28.046
tors. eta vs tors. theta energy: -6.121
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -358.868971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.868971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.868971 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -95.491
Base-Backbone interact. energy: 2.199
local terms energy: -220.877364
where:
bonds (distance) C4'-P energy: -61.606
bonds (distance) P-C4' energy: -72.074
flat angles C4'-P-C4' energy: -48.478
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: 5.079
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: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -325.408108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.408108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.408108 (E_RNA)
where:
Base-Base interactions energy: -116.561
where: short stacking energy: -77.335
Base-Backbone interact. energy: 0.791
local terms energy: -209.637611
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -65.411
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: 13.463
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: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1360.706434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.706434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.706434 (E_RNA)
where:
Base-Base interactions energy: -927.038
where: short stacking energy: -381.291
Base-Backbone interact. energy: -3.092
local terms energy: -430.575991
where:
bonds (distance) C4'-P energy: -74.281
bonds (distance) P-C4' energy: -84.285
flat angles C4'-P-C4' energy: -89.889
flat angles P-C4'-P energy: -66.819
tors. eta vs tors. theta energy: -115.301
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: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1375.719823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.719823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.719823 (E_RNA)
where:
Base-Base interactions energy: -968.182
where: short stacking energy: -373.603
Base-Backbone interact. energy: -1.042
local terms energy: -406.495301
where:
bonds (distance) C4'-P energy: -76.510
bonds (distance) P-C4' energy: -81.066
flat angles C4'-P-C4' energy: -87.801
flat angles P-C4'-P energy: -53.554
tors. eta vs tors. theta energy: -107.565
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: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1289.081488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.081488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.081488 (E_RNA)
where:
Base-Base interactions energy: -874.652
where: short stacking energy: -362.090
Base-Backbone interact. energy: -1.492
local terms energy: -412.937214
where:
bonds (distance) C4'-P energy: -68.085
bonds (distance) P-C4' energy: -88.070
flat angles C4'-P-C4' energy: -89.206
flat angles P-C4'-P energy: -57.755
tors. eta vs tors. theta energy: -109.822
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: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1280.111559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.111559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.111559 (E_RNA)
where:
Base-Base interactions energy: -867.461
where: short stacking energy: -367.492
Base-Backbone interact. energy: -1.280
local terms energy: -411.370640
where:
bonds (distance) C4'-P energy: -69.120
bonds (distance) P-C4' energy: -71.381
flat angles C4'-P-C4' energy: -90.472
flat angles P-C4'-P energy: -58.064
tors. eta vs tors. theta energy: -122.334
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: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1109.691097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.691097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.691097 (E_RNA)
where:
Base-Base interactions energy: -732.130
where: short stacking energy: -319.232
Base-Backbone interact. energy: -1.988
local terms energy: -375.573522
where:
bonds (distance) C4'-P energy: -69.684
bonds (distance) P-C4' energy: -75.223
flat angles C4'-P-C4' energy: -82.799
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -103.900
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: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -934.597276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.597276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.597276 (E_RNA)
where:
Base-Base interactions energy: -608.387
where: short stacking energy: -242.376
Base-Backbone interact. energy: -0.103
local terms energy: -326.107109
where:
bonds (distance) C4'-P energy: -79.624
bonds (distance) P-C4' energy: -76.912
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -50.386
tors. eta vs tors. theta energy: -55.259
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: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -797.239925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.239925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.239925 (E_RNA)
where:
Base-Base interactions energy: -506.798
where: short stacking energy: -242.841
Base-Backbone interact. energy: -3.745
local terms energy: -286.696531
where:
bonds (distance) C4'-P energy: -65.355
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -61.089
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -58.340
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: 250
Temperature: 1.250000
Total energy: -536.753362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.753362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.753362 (E_RNA)
where:
Base-Base interactions energy: -292.922
where: short stacking energy: -144.802
Base-Backbone interact. energy: 1.245
local terms energy: -245.076286
where:
bonds (distance) C4'-P energy: -70.198
bonds (distance) P-C4' energy: -67.586
flat angles C4'-P-C4' energy: -61.557
flat angles P-C4'-P energy: -41.750
tors. eta vs tors. theta energy: -3.984
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: 250
Temperature: 1.300000
Total energy: -351.849634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.849634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.849634 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -104.057
Base-Backbone interact. energy: -1.424
local terms energy: -227.271748
where:
bonds (distance) C4'-P energy: -62.371
bonds (distance) P-C4' energy: -71.863
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: 7.103
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: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -336.220196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.220196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.220196 (E_RNA)
where:
Base-Base interactions energy: -119.932
where: short stacking energy: -108.436
Base-Backbone interact. energy: -0.748
local terms energy: -215.539464
where:
bonds (distance) C4'-P energy: -68.273
bonds (distance) P-C4' energy: -53.858
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: 6.866
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: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1370.976669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.976669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.976669 (E_RNA)
where:
Base-Base interactions energy: -935.609
where: short stacking energy: -373.912
Base-Backbone interact. energy: -0.206
local terms energy: -435.161991
where:
bonds (distance) C4'-P energy: -85.050
bonds (distance) P-C4' energy: -77.149
flat angles C4'-P-C4' energy: -88.107
flat angles P-C4'-P energy: -67.598
tors. eta vs tors. theta energy: -117.258
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: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1349.277931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.277931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.277931 (E_RNA)
where:
Base-Base interactions energy: -927.632
where: short stacking energy: -389.248
Base-Backbone interact. energy: -2.227
local terms energy: -419.419015
where:
bonds (distance) C4'-P energy: -64.497
bonds (distance) P-C4' energy: -79.358
flat angles C4'-P-C4' energy: -96.931
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: -117.528
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: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1275.807857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.807857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.807857 (E_RNA)
where:
Base-Base interactions energy: -877.244
where: short stacking energy: -371.478
Base-Backbone interact. energy: -1.627
local terms energy: -396.937688
where:
bonds (distance) C4'-P energy: -70.086
bonds (distance) P-C4' energy: -75.344
flat angles C4'-P-C4' energy: -89.503
flat angles P-C4'-P energy: -51.776
tors. eta vs tors. theta energy: -110.229
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: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1239.881801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.881801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.881801 (E_RNA)
where:
Base-Base interactions energy: -855.880
where: short stacking energy: -319.526
Base-Backbone interact. energy: -0.786
local terms energy: -383.215644
where:
bonds (distance) C4'-P energy: -69.553
bonds (distance) P-C4' energy: -76.516
flat angles C4'-P-C4' energy: -79.328
flat angles P-C4'-P energy: -46.645
tors. eta vs tors. theta energy: -111.173
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1113.963172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.963172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.963172 (E_RNA)
where:
Base-Base interactions energy: -729.261
where: short stacking energy: -315.940
Base-Backbone interact. energy: -3.263
local terms energy: -381.439216
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -81.585
flat angles C4'-P-C4' energy: -78.969
flat angles P-C4'-P energy: -55.941
tors. eta vs tors. theta energy: -97.885
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: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -928.289901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.289901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.289901 (E_RNA)
where:
Base-Base interactions energy: -610.042
where: short stacking energy: -263.863
Base-Backbone interact. energy: 3.612
local terms energy: -321.859795
where:
bonds (distance) C4'-P energy: -68.419
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -84.172
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -61.121
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: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -847.757797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.757797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.757797 (E_RNA)
where:
Base-Base interactions energy: -521.347
where: short stacking energy: -230.406
Base-Backbone interact. energy: -1.379
local terms energy: -325.031062
where:
bonds (distance) C4'-P energy: -70.895
bonds (distance) P-C4' energy: -72.563
flat angles C4'-P-C4' energy: -78.005
flat angles P-C4'-P energy: -48.745
tors. eta vs tors. theta energy: -54.822
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -556.561091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.561091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.561091 (E_RNA)
where:
Base-Base interactions energy: -305.835
where: short stacking energy: -145.955
Base-Backbone interact. energy: 2.983
local terms energy: -253.709512
where:
bonds (distance) C4'-P energy: -69.305
bonds (distance) P-C4' energy: -65.269
flat angles C4'-P-C4' energy: -78.323
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -18.554
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: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -340.882051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.882051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.882051 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -108.768
Base-Backbone interact. energy: 2.679
local terms energy: -220.778109
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -72.510
flat angles C4'-P-C4' energy: -70.149
flat angles P-C4'-P energy: -23.508
tors. eta vs tors. theta energy: 7.771
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -312.115126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.115126 (E_RNA)
where:
Base-Base interactions energy: -108.238
where: short stacking energy: -78.543
Base-Backbone interact. energy: 1.117
local terms energy: -204.993682
where:
bonds (distance) C4'-P energy: -68.166
bonds (distance) P-C4' energy: -68.315
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -35.666
tors. eta vs tors. theta energy: 15.107
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: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1362.336278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.336278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.336278 (E_RNA)
where:
Base-Base interactions energy: -930.649
where: short stacking energy: -407.386
Base-Backbone interact. energy: -2.262
local terms energy: -429.424593
where:
bonds (distance) C4'-P energy: -76.687
bonds (distance) P-C4' energy: -78.641
flat angles C4'-P-C4' energy: -84.301
flat angles P-C4'-P energy: -65.418
tors. eta vs tors. theta energy: -124.378
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: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1332.302204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.302204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.302204 (E_RNA)
where:
Base-Base interactions energy: -920.863
where: short stacking energy: -374.099
Base-Backbone interact. energy: -2.607
local terms energy: -408.832875
where:
bonds (distance) C4'-P energy: -83.394
bonds (distance) P-C4' energy: -73.477
flat angles C4'-P-C4' energy: -81.343
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -108.353
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: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1280.605868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.605868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.605868 (E_RNA)
where:
Base-Base interactions energy: -881.662
where: short stacking energy: -350.172
Base-Backbone interact. energy: -1.049
local terms energy: -397.894952
where:
bonds (distance) C4'-P energy: -77.126
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -83.481
flat angles P-C4'-P energy: -64.948
tors. eta vs tors. theta energy: -102.260
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: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1257.158129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.158129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.158129 (E_RNA)
where:
Base-Base interactions energy: -856.966
where: short stacking energy: -352.535
Base-Backbone interact. energy: -0.999
local terms energy: -399.193778
where:
bonds (distance) C4'-P energy: -70.415
bonds (distance) P-C4' energy: -80.228
flat angles C4'-P-C4' energy: -78.069
flat angles P-C4'-P energy: -51.809
tors. eta vs tors. theta energy: -118.673
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1105.495102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.495102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.495102 (E_RNA)
where:
Base-Base interactions energy: -721.855
where: short stacking energy: -332.100
Base-Backbone interact. energy: 0.534
local terms energy: -384.175010
where:
bonds (distance) C4'-P energy: -77.324
bonds (distance) P-C4' energy: -83.944
flat angles C4'-P-C4' energy: -64.417
flat angles P-C4'-P energy: -59.968
tors. eta vs tors. theta energy: -98.523
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: 252
Temperature: 1.150000
Total energy: -913.154343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.154343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.154343 (E_RNA)
where:
Base-Base interactions energy: -606.003
where: short stacking energy: -256.056
Base-Backbone interact. energy: 0.113
local terms energy: -307.264525
where:
bonds (distance) C4'-P energy: -62.004
bonds (distance) P-C4' energy: -74.338
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -58.500
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: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -809.019261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.019261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.019261 (E_RNA)
where:
Base-Base interactions energy: -514.106
where: short stacking energy: -216.002
Base-Backbone interact. energy: -1.957
local terms energy: -292.956017
where:
bonds (distance) C4'-P energy: -65.530
bonds (distance) P-C4' energy: -71.731
flat angles C4'-P-C4' energy: -82.848
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -37.155
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: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -576.872023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.872023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.872023 (E_RNA)
where:
Base-Base interactions energy: -319.880
where: short stacking energy: -158.794
Base-Backbone interact. energy: -4.049
local terms energy: -252.943050
where:
bonds (distance) C4'-P energy: -55.929
bonds (distance) P-C4' energy: -71.242
flat angles C4'-P-C4' energy: -45.655
flat angles P-C4'-P energy: -55.099
tors. eta vs tors. theta energy: -25.018
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: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -355.604597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.604597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.604597 (E_RNA)
where:
Base-Base interactions energy: -137.360
where: short stacking energy: -96.541
Base-Backbone interact. energy: -2.404
local terms energy: -215.841000
where:
bonds (distance) C4'-P energy: -56.068
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -36.635
tors. eta vs tors. theta energy: 5.683
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: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -307.798309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.798309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.798309 (E_RNA)
where:
Base-Base interactions energy: -94.216
where: short stacking energy: -68.458
Base-Backbone interact. energy: 2.249
local terms energy: -215.831550
where:
bonds (distance) C4'-P energy: -61.955
bonds (distance) P-C4' energy: -68.123
flat angles C4'-P-C4' energy: -73.586
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: 22.412
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: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1350.177144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.177144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.177144 (E_RNA)
where:
Base-Base interactions energy: -930.854
where: short stacking energy: -401.761
Base-Backbone interact. energy: -3.162
local terms energy: -416.161168
where:
bonds (distance) C4'-P energy: -73.778
bonds (distance) P-C4' energy: -80.467
flat angles C4'-P-C4' energy: -92.549
flat angles P-C4'-P energy: -49.646
tors. eta vs tors. theta energy: -119.721
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: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1344.227037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.227037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.227037 (E_RNA)
where:
Base-Base interactions energy: -936.932
where: short stacking energy: -361.111
Base-Backbone interact. energy: -2.640
local terms energy: -404.654677
where:
bonds (distance) C4'-P energy: -83.457
bonds (distance) P-C4' energy: -71.739
flat angles C4'-P-C4' energy: -90.746
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -103.609
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1296.154448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.154448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.154448 (E_RNA)
where:
Base-Base interactions energy: -897.541
where: short stacking energy: -371.533
Base-Backbone interact. energy: -1.261
local terms energy: -397.352463
where:
bonds (distance) C4'-P energy: -74.987
bonds (distance) P-C4' energy: -79.380
flat angles C4'-P-C4' energy: -85.139
flat angles P-C4'-P energy: -52.839
tors. eta vs tors. theta energy: -105.007
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: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1252.805817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.805817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.805817 (E_RNA)
where:
Base-Base interactions energy: -858.905
where: short stacking energy: -362.854
Base-Backbone interact. energy: -2.006
local terms energy: -391.894967
where:
bonds (distance) C4'-P energy: -72.344
bonds (distance) P-C4' energy: -77.302
flat angles C4'-P-C4' energy: -79.832
flat angles P-C4'-P energy: -52.565
tors. eta vs tors. theta energy: -109.853
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: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1111.418234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.418234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.418234 (E_RNA)
where:
Base-Base interactions energy: -728.622
where: short stacking energy: -329.732
Base-Backbone interact. energy: -0.762
local terms energy: -382.034626
where:
bonds (distance) C4'-P energy: -76.893
bonds (distance) P-C4' energy: -69.364
flat angles C4'-P-C4' energy: -80.057
flat angles P-C4'-P energy: -58.126
tors. eta vs tors. theta energy: -97.594
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: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -907.519352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.519352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.519352 (E_RNA)
where:
Base-Base interactions energy: -596.287
where: short stacking energy: -250.383
Base-Backbone interact. energy: -0.103
local terms energy: -311.128893
where:
bonds (distance) C4'-P energy: -77.823
bonds (distance) P-C4' energy: -78.034
flat angles C4'-P-C4' energy: -54.445
flat angles P-C4'-P energy: -50.595
tors. eta vs tors. theta energy: -50.232
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: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -827.690795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.690795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.690795 (E_RNA)
where:
Base-Base interactions energy: -537.173
where: short stacking energy: -226.510
Base-Backbone interact. energy: -1.692
local terms energy: -288.825530
where:
bonds (distance) C4'-P energy: -63.554
bonds (distance) P-C4' energy: -63.248
flat angles C4'-P-C4' energy: -68.275
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -49.915
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: 253
Temperature: 1.250000
Total energy: -563.041614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.041614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.041614 (E_RNA)
where:
Base-Base interactions energy: -292.434
where: short stacking energy: -146.933
Base-Backbone interact. energy: -1.084
local terms energy: -269.523933
where:
bonds (distance) C4'-P energy: -78.953
bonds (distance) P-C4' energy: -71.699
flat angles C4'-P-C4' energy: -78.524
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -7.819
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -343.054221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.054221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.054221 (E_RNA)
where:
Base-Base interactions energy: -108.304
where: short stacking energy: -97.358
Base-Backbone interact. energy: 0.441
local terms energy: -235.190564
where:
bonds (distance) C4'-P energy: -63.567
bonds (distance) P-C4' energy: -75.951
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -51.958
tors. eta vs tors. theta energy: 17.117
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: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -334.220630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.220630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.220630 (E_RNA)
where:
Base-Base interactions energy: -140.889
where: short stacking energy: -112.883
Base-Backbone interact. energy: -0.489
local terms energy: -192.842732
where:
bonds (distance) C4'-P energy: -60.610
bonds (distance) P-C4' energy: -54.732
flat angles C4'-P-C4' energy: -58.258
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: 10.342
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: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1348.531362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.531362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.531362 (E_RNA)
where:
Base-Base interactions energy: -912.498
where: short stacking energy: -401.862
Base-Backbone interact. energy: -2.135
local terms energy: -433.897539
where:
bonds (distance) C4'-P energy: -79.632
bonds (distance) P-C4' energy: -78.940
flat angles C4'-P-C4' energy: -92.546
flat angles P-C4'-P energy: -58.105
tors. eta vs tors. theta energy: -124.674
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1339.598171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.598171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.598171 (E_RNA)
where:
Base-Base interactions energy: -931.181
where: short stacking energy: -372.263
Base-Backbone interact. energy: -2.252
local terms energy: -406.165759
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -75.743
flat angles C4'-P-C4' energy: -79.418
flat angles P-C4'-P energy: -60.255
tors. eta vs tors. theta energy: -112.058
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: 254
Temperature: 1.000000
Total energy: -1294.610503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.610503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.610503 (E_RNA)
where:
Base-Base interactions energy: -874.480
where: short stacking energy: -371.513
Base-Backbone interact. energy: -2.483
local terms energy: -417.647954
where:
bonds (distance) C4'-P energy: -62.964
bonds (distance) P-C4' energy: -80.948
flat angles C4'-P-C4' energy: -87.500
flat angles P-C4'-P energy: -67.280
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: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1248.939428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.939428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.939428 (E_RNA)
where:
Base-Base interactions energy: -865.559
where: short stacking energy: -355.552
Base-Backbone interact. energy: -1.143
local terms energy: -382.237466
where:
bonds (distance) C4'-P energy: -75.645
bonds (distance) P-C4' energy: -67.789
flat angles C4'-P-C4' energy: -86.181
flat angles P-C4'-P energy: -46.688
tors. eta vs tors. theta energy: -105.934
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: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1091.607719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.607719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.607719 (E_RNA)
where:
Base-Base interactions energy: -714.004
where: short stacking energy: -315.684
Base-Backbone interact. energy: -1.503
local terms energy: -376.100472
where:
bonds (distance) C4'-P energy: -73.981
bonds (distance) P-C4' energy: -68.486
flat angles C4'-P-C4' energy: -82.543
flat angles P-C4'-P energy: -64.297
tors. eta vs tors. theta energy: -86.793
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: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -920.549396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.549396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.549396 (E_RNA)
where:
Base-Base interactions energy: -596.227
where: short stacking energy: -263.784
Base-Backbone interact. energy: 3.417
local terms energy: -327.739150
where:
bonds (distance) C4'-P energy: -76.068
bonds (distance) P-C4' energy: -70.642
flat angles C4'-P-C4' energy: -71.797
flat angles P-C4'-P energy: -40.281
tors. eta vs tors. theta energy: -68.951
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: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -847.775703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.775703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.775703 (E_RNA)
where:
Base-Base interactions energy: -538.361
where: short stacking energy: -243.904
Base-Backbone interact. energy: 1.557
local terms energy: -310.970929
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -75.751
flat angles C4'-P-C4' energy: -66.805
flat angles P-C4'-P energy: -51.858
tors. eta vs tors. theta energy: -45.860
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: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -517.497753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.497753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.497753 (E_RNA)
where:
Base-Base interactions energy: -273.135
where: short stacking energy: -124.197
Base-Backbone interact. energy: 4.100
local terms energy: -248.463045
where:
bonds (distance) C4'-P energy: -56.400
bonds (distance) P-C4' energy: -62.137
flat angles C4'-P-C4' energy: -75.640
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -17.669
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: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -398.310944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.310944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.310944 (E_RNA)
where:
Base-Base interactions energy: -183.074
where: short stacking energy: -117.607
Base-Backbone interact. energy: 2.111
local terms energy: -217.348853
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -68.658
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: 1.233
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -306.361962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.361962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.361962 (E_RNA)
where:
Base-Base interactions energy: -106.675
where: short stacking energy: -68.681
Base-Backbone interact. energy: -2.287
local terms energy: -197.399597
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -74.824
flat angles C4'-P-C4' energy: -59.768
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: 17.183
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: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1375.288623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.288623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.288623 (E_RNA)
where:
Base-Base interactions energy: -927.787
where: short stacking energy: -397.092
Base-Backbone interact. energy: 0.178
local terms energy: -447.679367
where:
bonds (distance) C4'-P energy: -74.061
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -93.230
flat angles P-C4'-P energy: -64.556
tors. eta vs tors. theta energy: -121.275
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: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1367.000091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.000091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.000091 (E_RNA)
where:
Base-Base interactions energy: -957.603
where: short stacking energy: -376.507
Base-Backbone interact. energy: -0.398
local terms energy: -408.998952
where:
bonds (distance) C4'-P energy: -72.271
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -95.906
flat angles P-C4'-P energy: -55.649
tors. eta vs tors. theta energy: -112.313
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: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1305.941134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.941134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.941134 (E_RNA)
where:
Base-Base interactions energy: -893.563
where: short stacking energy: -378.212
Base-Backbone interact. energy: -0.974
local terms energy: -411.403880
where:
bonds (distance) C4'-P energy: -73.883
bonds (distance) P-C4' energy: -78.140
flat angles C4'-P-C4' energy: -91.073
flat angles P-C4'-P energy: -50.261
tors. eta vs tors. theta energy: -118.047
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: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1219.732843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.732843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.732843 (E_RNA)
where:
Base-Base interactions energy: -853.509
where: short stacking energy: -343.307
Base-Backbone interact. energy: -1.003
local terms energy: -365.221477
where:
bonds (distance) C4'-P energy: -80.546
bonds (distance) P-C4' energy: -66.087
flat angles C4'-P-C4' energy: -72.953
flat angles P-C4'-P energy: -53.522
tors. eta vs tors. theta energy: -92.115
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: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1094.050442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.050442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.050442 (E_RNA)
where:
Base-Base interactions energy: -718.322
where: short stacking energy: -303.470
Base-Backbone interact. energy: -0.533
local terms energy: -375.195490
where:
bonds (distance) C4'-P energy: -74.469
bonds (distance) P-C4' energy: -78.511
flat angles C4'-P-C4' energy: -74.391
flat angles P-C4'-P energy: -57.955
tors. eta vs tors. theta energy: -89.870
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: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -942.269505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.269505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.269505 (E_RNA)
where:
Base-Base interactions energy: -619.055
where: short stacking energy: -264.829
Base-Backbone interact. energy: -0.225
local terms energy: -322.989471
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -70.840
flat angles C4'-P-C4' energy: -71.828
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -70.143
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: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -840.078272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.078272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.078272 (E_RNA)
where:
Base-Base interactions energy: -538.529
where: short stacking energy: -235.285
Base-Backbone interact. energy: -0.472
local terms energy: -301.076619
where:
bonds (distance) C4'-P energy: -64.434
bonds (distance) P-C4' energy: -74.974
flat angles C4'-P-C4' energy: -54.172
flat angles P-C4'-P energy: -51.446
tors. eta vs tors. theta energy: -56.051
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: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -530.638850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.638850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.638850 (E_RNA)
where:
Base-Base interactions energy: -283.542
where: short stacking energy: -160.018
Base-Backbone interact. energy: 2.179
local terms energy: -249.276179
where:
bonds (distance) C4'-P energy: -55.299
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -38.237
tors. eta vs tors. theta energy: -12.085
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: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -401.850221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.850221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.850221 (E_RNA)
where:
Base-Base interactions energy: -182.092
where: short stacking energy: -115.405
Base-Backbone interact. energy: 1.714
local terms energy: -221.472432
where:
bonds (distance) C4'-P energy: -59.294
bonds (distance) P-C4' energy: -71.523
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: 0.238
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: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -312.945868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.945868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.945868 (E_RNA)
where:
Base-Base interactions energy: -95.969
where: short stacking energy: -72.000
Base-Backbone interact. energy: -1.085
local terms energy: -215.892046
where:
bonds (distance) C4'-P energy: -66.956
bonds (distance) P-C4' energy: -68.207
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: 16.641
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: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1406.073482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.073482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.073482 (E_RNA)
where:
Base-Base interactions energy: -978.946
where: short stacking energy: -380.135
Base-Backbone interact. energy: -3.743
local terms energy: -423.384335
where:
bonds (distance) C4'-P energy: -86.261
bonds (distance) P-C4' energy: -86.040
flat angles C4'-P-C4' energy: -82.189
flat angles P-C4'-P energy: -59.498
tors. eta vs tors. theta energy: -109.396
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: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1345.416680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.416680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.416680 (E_RNA)
where:
Base-Base interactions energy: -914.219
where: short stacking energy: -393.914
Base-Backbone interact. energy: -1.429
local terms energy: -429.768791
where:
bonds (distance) C4'-P energy: -77.091
bonds (distance) P-C4' energy: -83.128
flat angles C4'-P-C4' energy: -83.413
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -127.969
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: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1289.397949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.397949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.397949 (E_RNA)
where:
Base-Base interactions energy: -886.709
where: short stacking energy: -392.848
Base-Backbone interact. energy: -0.127
local terms energy: -402.562405
where:
bonds (distance) C4'-P energy: -60.343
bonds (distance) P-C4' energy: -76.240
flat angles C4'-P-C4' energy: -88.088
flat angles P-C4'-P energy: -54.098
tors. eta vs tors. theta energy: -123.792
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: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1258.912957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.912957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.912957 (E_RNA)
where:
Base-Base interactions energy: -859.204
where: short stacking energy: -365.471
Base-Backbone interact. energy: -0.525
local terms energy: -399.184555
where:
bonds (distance) C4'-P energy: -71.220
bonds (distance) P-C4' energy: -86.838
flat angles C4'-P-C4' energy: -77.318
flat angles P-C4'-P energy: -59.227
tors. eta vs tors. theta energy: -104.581
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1062.939343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.939343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.939343 (E_RNA)
where:
Base-Base interactions energy: -704.437
where: short stacking energy: -331.384
Base-Backbone interact. energy: 2.206
local terms energy: -360.708022
where:
bonds (distance) C4'-P energy: -75.979
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -83.975
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -94.766
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: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -927.232954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.232954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.232954 (E_RNA)
where:
Base-Base interactions energy: -591.734
where: short stacking energy: -281.286
Base-Backbone interact. energy: -0.848
local terms energy: -334.650427
where:
bonds (distance) C4'-P energy: -65.084
bonds (distance) P-C4' energy: -76.513
flat angles C4'-P-C4' energy: -78.992
flat angles P-C4'-P energy: -52.389
tors. eta vs tors. theta energy: -61.673
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: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -767.023103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.023103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.023103 (E_RNA)
where:
Base-Base interactions energy: -491.262
where: short stacking energy: -203.700
Base-Backbone interact. energy: 1.912
local terms energy: -277.673277
where:
bonds (distance) C4'-P energy: -57.940
bonds (distance) P-C4' energy: -77.944
flat angles C4'-P-C4' energy: -59.396
flat angles P-C4'-P energy: -55.682
tors. eta vs tors. theta energy: -26.713
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: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -565.299563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.299563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.299563 (E_RNA)
where:
Base-Base interactions energy: -319.015
where: short stacking energy: -168.684
Base-Backbone interact. energy: 2.217
local terms energy: -248.501046
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -74.279
flat angles C4'-P-C4' energy: -62.915
flat angles P-C4'-P energy: -28.426
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -417.803953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.803953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.803953 (E_RNA)
where:
Base-Base interactions energy: -200.374
where: short stacking energy: -121.724
Base-Backbone interact. energy: 2.769
local terms energy: -220.199696
where:
bonds (distance) C4'-P energy: -58.834
bonds (distance) P-C4' energy: -66.240
flat angles C4'-P-C4' energy: -74.199
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: 14.560
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -322.267325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.267325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.267325 (E_RNA)
where:
Base-Base interactions energy: -126.944
where: short stacking energy: -89.342
Base-Backbone interact. energy: 2.061
local terms energy: -197.383919
where:
bonds (distance) C4'-P energy: -54.297
bonds (distance) P-C4' energy: -71.488
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: 18.579
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1393.104316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.104316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.104316 (E_RNA)
where:
Base-Base interactions energy: -963.422
where: short stacking energy: -399.009
Base-Backbone interact. energy: -7.106
local terms energy: -422.575801
where:
bonds (distance) C4'-P energy: -69.664
bonds (distance) P-C4' energy: -79.058
flat angles C4'-P-C4' energy: -95.901
flat angles P-C4'-P energy: -66.628
tors. eta vs tors. theta energy: -111.325
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: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1338.811935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.811935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.811935 (E_RNA)
where:
Base-Base interactions energy: -918.761
where: short stacking energy: -382.602
Base-Backbone interact. energy: -0.532
local terms energy: -419.519400
where:
bonds (distance) C4'-P energy: -75.845
bonds (distance) P-C4' energy: -75.929
flat angles C4'-P-C4' energy: -83.303
flat angles P-C4'-P energy: -56.110
tors. eta vs tors. theta energy: -128.333
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)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1274.014158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.014158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.014158 (E_RNA)
where:
Base-Base interactions energy: -874.678
where: short stacking energy: -371.774
Base-Backbone interact. energy: -3.375
local terms energy: -395.961392
where:
bonds (distance) C4'-P energy: -73.308
bonds (distance) P-C4' energy: -69.296
flat angles C4'-P-C4' energy: -88.072
flat angles P-C4'-P energy: -53.620
tors. eta vs tors. theta energy: -111.665
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: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1287.673802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.673802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.673802 (E_RNA)
where:
Base-Base interactions energy: -889.780
where: short stacking energy: -380.212
Base-Backbone interact. energy: -1.055
local terms energy: -396.838151
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -69.593
flat angles C4'-P-C4' energy: -87.324
flat angles P-C4'-P energy: -55.853
tors. eta vs tors. theta energy: -113.178
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: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1076.998641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.998641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.998641 (E_RNA)
where:
Base-Base interactions energy: -694.797
where: short stacking energy: -302.472
Base-Backbone interact. energy: -2.535
local terms energy: -379.666601
where:
bonds (distance) C4'-P energy: -65.796
bonds (distance) P-C4' energy: -85.621
flat angles C4'-P-C4' energy: -70.930
flat angles P-C4'-P energy: -58.514
tors. eta vs tors. theta energy: -98.805
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: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -930.406008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.406008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.406008 (E_RNA)
where:
Base-Base interactions energy: -598.434
where: short stacking energy: -258.395
Base-Backbone interact. energy: -0.876
local terms energy: -331.095855
where:
bonds (distance) C4'-P energy: -66.178
bonds (distance) P-C4' energy: -80.625
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -47.438
tors. eta vs tors. theta energy: -63.394
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: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -791.249671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.249671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.249671 (E_RNA)
where:
Base-Base interactions energy: -503.391
where: short stacking energy: -209.721
Base-Backbone interact. energy: -0.152
local terms energy: -287.706513
where:
bonds (distance) C4'-P energy: -72.049
bonds (distance) P-C4' energy: -62.698
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -47.312
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: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -596.290280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.290280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.290280 (E_RNA)
where:
Base-Base interactions energy: -336.759
where: short stacking energy: -177.243
Base-Backbone interact. energy: -2.207
local terms energy: -257.324671
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -63.587
flat angles C4'-P-C4' energy: -61.028
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: -33.641
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: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -422.595667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.595667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.595667 (E_RNA)
where:
Base-Base interactions energy: -165.144
where: short stacking energy: -105.334
Base-Backbone interact. energy: -0.243
local terms energy: -257.208634
where:
bonds (distance) C4'-P energy: -77.536
bonds (distance) P-C4' energy: -79.774
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -0.368
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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -325.912484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.912484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.912484 (E_RNA)
where:
Base-Base interactions energy: -136.540
where: short stacking energy: -115.670
Base-Backbone interact. energy: 0.710
local terms energy: -190.082455
where:
bonds (distance) C4'-P energy: -69.057
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -29.333
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: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1373.666937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.666937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.666937 (E_RNA)
where:
Base-Base interactions energy: -935.854
where: short stacking energy: -386.434
Base-Backbone interact. energy: -1.795
local terms energy: -436.018236
where:
bonds (distance) C4'-P energy: -79.035
bonds (distance) P-C4' energy: -79.029
flat angles C4'-P-C4' energy: -86.471
flat angles P-C4'-P energy: -62.946
tors. eta vs tors. theta energy: -128.537
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: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1348.399357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.399357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.399357 (E_RNA)
where:
Base-Base interactions energy: -948.772
where: short stacking energy: -376.720
Base-Backbone interact. energy: -5.516
local terms energy: -394.111918
where:
bonds (distance) C4'-P energy: -70.874
bonds (distance) P-C4' energy: -71.365
flat angles C4'-P-C4' energy: -84.921
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -113.514
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: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1222.002591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.002591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.002591 (E_RNA)
where:
Base-Base interactions energy: -818.541
where: short stacking energy: -334.518
Base-Backbone interact. energy: -2.975
local terms energy: -400.486450
where:
bonds (distance) C4'-P energy: -78.360
bonds (distance) P-C4' energy: -76.866
flat angles C4'-P-C4' energy: -86.097
flat angles P-C4'-P energy: -52.260
tors. eta vs tors. theta energy: -106.903
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1224.500459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.500459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.500459 (E_RNA)
where:
Base-Base interactions energy: -839.666
where: short stacking energy: -340.912
Base-Backbone interact. energy: -1.092
local terms energy: -383.742411
where:
bonds (distance) C4'-P energy: -77.765
bonds (distance) P-C4' energy: -70.764
flat angles C4'-P-C4' energy: -88.413
flat angles P-C4'-P energy: -48.364
tors. eta vs tors. theta energy: -98.436
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: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1079.411389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.411389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.411389 (E_RNA)
where:
Base-Base interactions energy: -707.927
where: short stacking energy: -322.231
Base-Backbone interact. energy: 0.522
local terms energy: -372.007072
where:
bonds (distance) C4'-P energy: -72.674
bonds (distance) P-C4' energy: -65.159
flat angles C4'-P-C4' energy: -80.721
flat angles P-C4'-P energy: -53.034
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: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -931.861210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.861210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.861210 (E_RNA)
where:
Base-Base interactions energy: -616.731
where: short stacking energy: -254.704
Base-Backbone interact. energy: -2.173
local terms energy: -312.956991
where:
bonds (distance) C4'-P energy: -58.899
bonds (distance) P-C4' energy: -66.820
flat angles C4'-P-C4' energy: -74.593
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -69.169
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: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -863.193317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.193317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.193317 (E_RNA)
where:
Base-Base interactions energy: -564.306
where: short stacking energy: -238.230
Base-Backbone interact. energy: 0.045
local terms energy: -298.933161
where:
bonds (distance) C4'-P energy: -59.001
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -67.389
flat angles P-C4'-P energy: -56.480
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: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -584.834895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.834895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.834895 (E_RNA)
where:
Base-Base interactions energy: -325.582
where: short stacking energy: -163.959
Base-Backbone interact. energy: -0.759
local terms energy: -258.493268
where:
bonds (distance) C4'-P energy: -76.630
bonds (distance) P-C4' energy: -77.717
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -40.535
tors. eta vs tors. theta energy: -11.184
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -427.121113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.121113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.121113 (E_RNA)
where:
Base-Base interactions energy: -186.149
where: short stacking energy: -112.712
Base-Backbone interact. energy: -1.059
local terms energy: -239.913053
where:
bonds (distance) C4'-P energy: -73.148
bonds (distance) P-C4' energy: -66.988
flat angles C4'-P-C4' energy: -68.673
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: 4.558
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: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -293.492198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.492198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.492198 (E_RNA)
where:
Base-Base interactions energy: -88.114
where: short stacking energy: -69.366
Base-Backbone interact. energy: -1.133
local terms energy: -204.245440
where:
bonds (distance) C4'-P energy: -69.107
bonds (distance) P-C4' energy: -68.084
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: 22.755
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: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1396.638725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.638725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.638725 (E_RNA)
where:
Base-Base interactions energy: -950.816
where: short stacking energy: -413.861
Base-Backbone interact. energy: -0.760
local terms energy: -445.062714
where:
bonds (distance) C4'-P energy: -85.496
bonds (distance) P-C4' energy: -78.184
flat angles C4'-P-C4' energy: -87.904
flat angles P-C4'-P energy: -59.286
tors. eta vs tors. theta energy: -134.193
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: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1357.293483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.293483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.293483 (E_RNA)
where:
Base-Base interactions energy: -960.104
where: short stacking energy: -389.953
Base-Backbone interact. energy: -2.507
local terms energy: -394.683443
where:
bonds (distance) C4'-P energy: -64.436
bonds (distance) P-C4' energy: -72.074
flat angles C4'-P-C4' energy: -90.273
flat angles P-C4'-P energy: -48.780
tors. eta vs tors. theta energy: -119.120
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: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1313.994135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.994135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.994135 (E_RNA)
where:
Base-Base interactions energy: -902.999
where: short stacking energy: -378.462
Base-Backbone interact. energy: -2.608
local terms energy: -408.386673
where:
bonds (distance) C4'-P energy: -84.342
bonds (distance) P-C4' energy: -74.068
flat angles C4'-P-C4' energy: -83.924
flat angles P-C4'-P energy: -56.467
tors. eta vs tors. theta energy: -109.585
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: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1228.690793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.690793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.690793 (E_RNA)
where:
Base-Base interactions energy: -841.915
where: short stacking energy: -339.630
Base-Backbone interact. energy: -0.296
local terms energy: -386.480223
where:
bonds (distance) C4'-P energy: -65.030
bonds (distance) P-C4' energy: -79.260
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -57.837
tors. eta vs tors. theta energy: -94.781
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: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1079.169483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.169483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.169483 (E_RNA)
where:
Base-Base interactions energy: -715.098
where: short stacking energy: -309.733
Base-Backbone interact. energy: -1.759
local terms energy: -362.311861
where:
bonds (distance) C4'-P energy: -66.913
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -86.937
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -97.375
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: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -926.393053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.393053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.393053 (E_RNA)
where:
Base-Base interactions energy: -605.883
where: short stacking energy: -260.756
Base-Backbone interact. energy: -2.748
local terms energy: -317.761411
where:
bonds (distance) C4'-P energy: -76.155
bonds (distance) P-C4' energy: -73.578
flat angles C4'-P-C4' energy: -60.155
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -63.614
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: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -822.408723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.408723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.408723 (E_RNA)
where:
Base-Base interactions energy: -533.648
where: short stacking energy: -200.013
Base-Backbone interact. energy: -3.180
local terms energy: -285.581263
where:
bonds (distance) C4'-P energy: -64.548
bonds (distance) P-C4' energy: -73.613
flat angles C4'-P-C4' energy: -64.157
flat angles P-C4'-P energy: -44.034
tors. eta vs tors. theta energy: -39.229
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: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -584.437397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.437397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.437397 (E_RNA)
where:
Base-Base interactions energy: -298.549
where: short stacking energy: -155.480
Base-Backbone interact. energy: 0.001
local terms energy: -285.889930
where:
bonds (distance) C4'-P energy: -75.708
bonds (distance) P-C4' energy: -77.472
flat angles C4'-P-C4' energy: -65.603
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -27.086
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: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -430.576420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.576420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.576420 (E_RNA)
where:
Base-Base interactions energy: -222.718
where: short stacking energy: -107.877
Base-Backbone interact. energy: 1.192
local terms energy: -209.050392
where:
bonds (distance) C4'-P energy: -63.711
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -62.368
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: 6.135
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: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -317.376131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.376131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.376131 (E_RNA)
where:
Base-Base interactions energy: -89.525
where: short stacking energy: -73.815
Base-Backbone interact. energy: -2.845
local terms energy: -225.006385
where:
bonds (distance) C4'-P energy: -77.865
bonds (distance) P-C4' energy: -68.005
flat angles C4'-P-C4' energy: -63.787
flat angles P-C4'-P energy: -31.906
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: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1401.163779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.163779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.163779 (E_RNA)
where:
Base-Base interactions energy: -966.020
where: short stacking energy: -410.893
Base-Backbone interact. energy: -4.347
local terms energy: -430.796485
where:
bonds (distance) C4'-P energy: -76.915
bonds (distance) P-C4' energy: -78.709
flat angles C4'-P-C4' energy: -91.104
flat angles P-C4'-P energy: -55.133
tors. eta vs tors. theta energy: -128.937
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: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1326.611260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.611260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.611260 (E_RNA)
where:
Base-Base interactions energy: -924.821
where: short stacking energy: -373.521
Base-Backbone interact. energy: -2.545
local terms energy: -399.245050
where:
bonds (distance) C4'-P energy: -71.939
bonds (distance) P-C4' energy: -75.923
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -60.987
tors. eta vs tors. theta energy: -111.441
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: 260
Temperature: 1.000000
Total energy: -1303.832555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.832555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.832555 (E_RNA)
where:
Base-Base interactions energy: -898.824
where: short stacking energy: -343.156
Base-Backbone interact. energy: 1.593
local terms energy: -406.601723
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -79.283
flat angles C4'-P-C4' energy: -89.887
flat angles P-C4'-P energy: -60.826
tors. eta vs tors. theta energy: -106.833
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: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1206.785515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.785515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.785515 (E_RNA)
where:
Base-Base interactions energy: -841.738
where: short stacking energy: -331.580
Base-Backbone interact. energy: -0.705
local terms energy: -364.342628
where:
bonds (distance) C4'-P energy: -67.132
bonds (distance) P-C4' energy: -77.503
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -58.573
tors. eta vs tors. theta energy: -88.573
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: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1133.331954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.331954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.331954 (E_RNA)
where:
Base-Base interactions energy: -752.929
where: short stacking energy: -328.494
Base-Backbone interact. energy: 0.430
local terms energy: -380.833021
where:
bonds (distance) C4'-P energy: -77.148
bonds (distance) P-C4' energy: -70.323
flat angles C4'-P-C4' energy: -82.482
flat angles P-C4'-P energy: -49.785
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: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -953.990878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.990878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.990878 (E_RNA)
where:
Base-Base interactions energy: -609.891
where: short stacking energy: -284.036
Base-Backbone interact. energy: -0.840
local terms energy: -343.260006
where:
bonds (distance) C4'-P energy: -74.198
bonds (distance) P-C4' energy: -67.008
flat angles C4'-P-C4' energy: -76.191
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -81.914
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: 260
Temperature: 1.200000
Total energy: -761.323440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.323440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.323440 (E_RNA)
where:
Base-Base interactions energy: -483.785
where: short stacking energy: -220.100
Base-Backbone interact. energy: -0.834
local terms energy: -276.704724
where:
bonds (distance) C4'-P energy: -69.501
bonds (distance) P-C4' energy: -62.465
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -46.241
tors. eta vs tors. theta energy: -41.525
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: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -558.942327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.942327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.942327 (E_RNA)
where:
Base-Base interactions energy: -279.205
where: short stacking energy: -146.340
Base-Backbone interact. energy: -1.415
local terms energy: -278.322668
where:
bonds (distance) C4'-P energy: -71.151
bonds (distance) P-C4' energy: -77.934
flat angles C4'-P-C4' energy: -78.310
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -14.809
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: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -415.957831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.957831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.957831 (E_RNA)
where:
Base-Base interactions energy: -191.178
where: short stacking energy: -109.380
Base-Backbone interact. energy: -0.885
local terms energy: -223.895191
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -70.710
flat angles C4'-P-C4' energy: -55.926
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: 7.489
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: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -308.473519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.473519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.473519 (E_RNA)
where:
Base-Base interactions energy: -64.749
where: short stacking energy: -59.508
Base-Backbone interact. energy: -1.578
local terms energy: -242.146508
where:
bonds (distance) C4'-P energy: -69.491
bonds (distance) P-C4' energy: -73.868
flat angles C4'-P-C4' energy: -58.310
flat angles P-C4'-P energy: -39.145
tors. eta vs tors. theta energy: -1.332
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: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1384.649430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.649430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.649430 (E_RNA)
where:
Base-Base interactions energy: -956.913
where: short stacking energy: -391.993
Base-Backbone interact. energy: -2.097
local terms energy: -425.639025
where:
bonds (distance) C4'-P energy: -76.045
bonds (distance) P-C4' energy: -77.402
flat angles C4'-P-C4' energy: -94.996
flat angles P-C4'-P energy: -46.697
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: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1340.157388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.157388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.157388 (E_RNA)
where:
Base-Base interactions energy: -920.268
where: short stacking energy: -376.214
Base-Backbone interact. energy: -2.463
local terms energy: -417.426664
where:
bonds (distance) C4'-P energy: -78.321
bonds (distance) P-C4' energy: -79.121
flat angles C4'-P-C4' energy: -93.521
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -112.422
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: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1297.078410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.078410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.078410 (E_RNA)
where:
Base-Base interactions energy: -896.102
where: short stacking energy: -357.259
Base-Backbone interact. energy: 1.673
local terms energy: -402.649083
where:
bonds (distance) C4'-P energy: -77.246
bonds (distance) P-C4' energy: -64.884
flat angles C4'-P-C4' energy: -92.824
flat angles P-C4'-P energy: -52.160
tors. eta vs tors. theta energy: -115.536
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: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1258.778010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.778010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.778010 (E_RNA)
where:
Base-Base interactions energy: -869.778
where: short stacking energy: -360.196
Base-Backbone interact. energy: -0.222
local terms energy: -388.778069
where:
bonds (distance) C4'-P energy: -65.596
bonds (distance) P-C4' energy: -64.211
flat angles C4'-P-C4' energy: -86.068
flat angles P-C4'-P energy: -62.398
tors. eta vs tors. theta energy: -110.505
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: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1109.748805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.748805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.748805 (E_RNA)
where:
Base-Base interactions energy: -742.658
where: short stacking energy: -317.441
Base-Backbone interact. energy: -1.347
local terms energy: -365.743403
where:
bonds (distance) C4'-P energy: -71.229
bonds (distance) P-C4' energy: -73.059
flat angles C4'-P-C4' energy: -77.585
flat angles P-C4'-P energy: -48.835
tors. eta vs tors. theta energy: -95.036
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -905.857322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.857322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.857322 (E_RNA)
where:
Base-Base interactions energy: -573.561
where: short stacking energy: -243.286
Base-Backbone interact. energy: -1.326
local terms energy: -330.970673
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -65.134
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -54.456
tors. eta vs tors. theta energy: -58.997
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: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -819.827619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.827619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.827619 (E_RNA)
where:
Base-Base interactions energy: -497.348
where: short stacking energy: -219.902
Base-Backbone interact. energy: -0.553
local terms energy: -321.926623
where:
bonds (distance) C4'-P energy: -58.003
bonds (distance) P-C4' energy: -78.981
flat angles C4'-P-C4' energy: -78.071
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -51.530
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: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -583.347231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.347231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.347231 (E_RNA)
where:
Base-Base interactions energy: -315.961
where: short stacking energy: -172.103
Base-Backbone interact. energy: 0.971
local terms energy: -268.357463
where:
bonds (distance) C4'-P energy: -68.730
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -26.888
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: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -420.315181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.315181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.315181 (E_RNA)
where:
Base-Base interactions energy: -186.243
where: short stacking energy: -121.766
Base-Backbone interact. energy: -1.142
local terms energy: -232.930270
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -70.160
flat angles C4'-P-C4' energy: -66.896
flat angles P-C4'-P energy: -41.041
tors. eta vs tors. theta energy: -5.474
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: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -327.145189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.145189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.145189 (E_RNA)
where:
Base-Base interactions energy: -106.352
where: short stacking energy: -85.885
Base-Backbone interact. energy: -0.978
local terms energy: -219.814553
where:
bonds (distance) C4'-P energy: -65.271
bonds (distance) P-C4' energy: -65.472
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -40.092
tors. eta vs tors. theta energy: 2.133
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: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1399.171445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.171445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.171445 (E_RNA)
where:
Base-Base interactions energy: -963.348
where: short stacking energy: -398.046
Base-Backbone interact. energy: -1.944
local terms energy: -433.878809
where:
bonds (distance) C4'-P energy: -80.035
bonds (distance) P-C4' energy: -82.062
flat angles C4'-P-C4' energy: -83.199
flat angles P-C4'-P energy: -60.966
tors. eta vs tors. theta energy: -127.617
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: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1340.644568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.644568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.644568 (E_RNA)
where:
Base-Base interactions energy: -917.639
where: short stacking energy: -390.081
Base-Backbone interact. energy: -0.487
local terms energy: -422.517939
where:
bonds (distance) C4'-P energy: -72.055
bonds (distance) P-C4' energy: -77.217
flat angles C4'-P-C4' energy: -87.743
flat angles P-C4'-P energy: -60.851
tors. eta vs tors. theta energy: -124.652
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: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1312.874239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.874239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.874239 (E_RNA)
where:
Base-Base interactions energy: -883.084
where: short stacking energy: -368.935
Base-Backbone interact. energy: -1.646
local terms energy: -428.144384
where:
bonds (distance) C4'-P energy: -82.571
bonds (distance) P-C4' energy: -75.360
flat angles C4'-P-C4' energy: -86.556
flat angles P-C4'-P energy: -59.706
tors. eta vs tors. theta energy: -123.951
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1237.267120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.267120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.267120 (E_RNA)
where:
Base-Base interactions energy: -830.967
where: short stacking energy: -355.170
Base-Backbone interact. energy: 0.451
local terms energy: -406.751066
where:
bonds (distance) C4'-P energy: -72.950
bonds (distance) P-C4' energy: -75.433
flat angles C4'-P-C4' energy: -87.864
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -110.294
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: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1108.724449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.724449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.724449 (E_RNA)
where:
Base-Base interactions energy: -734.365
where: short stacking energy: -330.034
Base-Backbone interact. energy: -0.832
local terms energy: -373.527936
where:
bonds (distance) C4'-P energy: -75.748
bonds (distance) P-C4' energy: -74.786
flat angles C4'-P-C4' energy: -84.365
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -88.368
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: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -899.954434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.954434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.954434 (E_RNA)
where:
Base-Base interactions energy: -565.159
where: short stacking energy: -244.720
Base-Backbone interact. energy: 1.857
local terms energy: -336.653384
where:
bonds (distance) C4'-P energy: -77.321
bonds (distance) P-C4' energy: -67.476
flat angles C4'-P-C4' energy: -82.102
flat angles P-C4'-P energy: -43.364
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: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -805.407365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.407365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.407365 (E_RNA)
where:
Base-Base interactions energy: -490.820
where: short stacking energy: -209.203
Base-Backbone interact. energy: -2.141
local terms energy: -312.445704
where:
bonds (distance) C4'-P energy: -73.058
bonds (distance) P-C4' energy: -81.630
flat angles C4'-P-C4' energy: -64.354
flat angles P-C4'-P energy: -41.116
tors. eta vs tors. theta energy: -52.287
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: 262
Temperature: 1.250000
Total energy: -574.981026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.981026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.981026 (E_RNA)
where:
Base-Base interactions energy: -317.768
where: short stacking energy: -170.599
Base-Backbone interact. energy: 1.381
local terms energy: -258.594243
where:
bonds (distance) C4'-P energy: -65.063
bonds (distance) P-C4' energy: -75.670
flat angles C4'-P-C4' energy: -63.359
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -30.183
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: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -442.048001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.048001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.048001 (E_RNA)
where:
Base-Base interactions energy: -189.608
where: short stacking energy: -117.337
Base-Backbone interact. energy: -1.883
local terms energy: -250.556932
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -64.403
flat angles P-C4'-P energy: -47.568
tors. eta vs tors. theta energy: -0.997
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: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -309.287505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.287505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.287505 (E_RNA)
where:
Base-Base interactions energy: -84.946
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.380
local terms energy: -223.961541
where:
bonds (distance) C4'-P energy: -73.583
bonds (distance) P-C4' energy: -68.112
flat angles C4'-P-C4' energy: -46.184
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: 8.156
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: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1370.968363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.968363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.968363 (E_RNA)
where:
Base-Base interactions energy: -945.917
where: short stacking energy: -397.782
Base-Backbone interact. energy: -2.840
local terms energy: -422.211491
where:
bonds (distance) C4'-P energy: -78.389
bonds (distance) P-C4' energy: -74.185
flat angles C4'-P-C4' energy: -95.748
flat angles P-C4'-P energy: -46.952
tors. eta vs tors. theta energy: -126.938
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: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1335.287303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.287303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.287303 (E_RNA)
where:
Base-Base interactions energy: -917.084
where: short stacking energy: -365.005
Base-Backbone interact. energy: -1.368
local terms energy: -416.834951
where:
bonds (distance) C4'-P energy: -66.578
bonds (distance) P-C4' energy: -82.712
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -59.686
tors. eta vs tors. theta energy: -113.836
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: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1339.276455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.276455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.276455 (E_RNA)
where:
Base-Base interactions energy: -923.661
where: short stacking energy: -368.844
Base-Backbone interact. energy: -1.225
local terms energy: -414.391150
where:
bonds (distance) C4'-P energy: -80.784
bonds (distance) P-C4' energy: -68.940
flat angles C4'-P-C4' energy: -90.045
flat angles P-C4'-P energy: -54.492
tors. eta vs tors. theta energy: -120.129
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: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1247.328297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.328297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.328297 (E_RNA)
where:
Base-Base interactions energy: -858.772
where: short stacking energy: -356.578
Base-Backbone interact. energy: -3.713
local terms energy: -384.842745
where:
bonds (distance) C4'-P energy: -73.397
bonds (distance) P-C4' energy: -69.709
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -105.971
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: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1084.533454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.533454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.533454 (E_RNA)
where:
Base-Base interactions energy: -730.472
where: short stacking energy: -310.000
Base-Backbone interact. energy: 1.871
local terms energy: -355.932473
where:
bonds (distance) C4'-P energy: -76.065
bonds (distance) P-C4' energy: -66.195
flat angles C4'-P-C4' energy: -84.449
flat angles P-C4'-P energy: -48.696
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -969.740757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.740757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.740757 (E_RNA)
where:
Base-Base interactions energy: -652.978
where: short stacking energy: -270.075
Base-Backbone interact. energy: -0.060
local terms energy: -316.702910
where:
bonds (distance) C4'-P energy: -59.357
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -69.264
flat angles P-C4'-P energy: -51.337
tors. eta vs tors. theta energy: -68.337
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -742.380773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.380773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.380773 (E_RNA)
where:
Base-Base interactions energy: -453.891
where: short stacking energy: -209.129
Base-Backbone interact. energy: -2.818
local terms energy: -285.671861
where:
bonds (distance) C4'-P energy: -66.795
bonds (distance) P-C4' energy: -63.883
flat angles C4'-P-C4' energy: -67.365
flat angles P-C4'-P energy: -37.985
tors. eta vs tors. theta energy: -49.644
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: 263
Temperature: 1.250000
Total energy: -550.463433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.463433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.463433 (E_RNA)
where:
Base-Base interactions energy: -310.068
where: short stacking energy: -169.810
Base-Backbone interact. energy: -0.161
local terms energy: -240.234841
where:
bonds (distance) C4'-P energy: -65.813
bonds (distance) P-C4' energy: -68.440
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: -13.596
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: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -442.167454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.167454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.167454 (E_RNA)
where:
Base-Base interactions energy: -219.343
where: short stacking energy: -136.228
Base-Backbone interact. energy: 0.105
local terms energy: -222.929068
where:
bonds (distance) C4'-P energy: -68.460
bonds (distance) P-C4' energy: -74.804
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -9.060
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: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -334.671654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.671654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.671654 (E_RNA)
where:
Base-Base interactions energy: -127.614
where: short stacking energy: -97.664
Base-Backbone interact. energy: -0.540
local terms energy: -206.518566
where:
bonds (distance) C4'-P energy: -84.151
bonds (distance) P-C4' energy: -59.713
flat angles C4'-P-C4' energy: -47.243
flat angles P-C4'-P energy: -24.843
tors. eta vs tors. theta energy: 9.432
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: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1378.752147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.752147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.752147 (E_RNA)
where:
Base-Base interactions energy: -955.737
where: short stacking energy: -383.846
Base-Backbone interact. energy: 5.364
local terms energy: -428.378808
where:
bonds (distance) C4'-P energy: -80.999
bonds (distance) P-C4' energy: -77.547
flat angles C4'-P-C4' energy: -90.832
flat angles P-C4'-P energy: -60.141
tors. eta vs tors. theta energy: -118.859
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: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1352.976507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.976507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.976507 (E_RNA)
where:
Base-Base interactions energy: -948.665
where: short stacking energy: -401.820
Base-Backbone interact. energy: -1.424
local terms energy: -402.887666
where:
bonds (distance) C4'-P energy: -69.278
bonds (distance) P-C4' energy: -74.825
flat angles C4'-P-C4' energy: -84.215
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: -126.563
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: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1271.362940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.362940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.362940 (E_RNA)
where:
Base-Base interactions energy: -866.602
where: short stacking energy: -380.510
Base-Backbone interact. energy: -1.890
local terms energy: -402.871112
where:
bonds (distance) C4'-P energy: -69.901
bonds (distance) P-C4' energy: -80.011
flat angles C4'-P-C4' energy: -80.465
flat angles P-C4'-P energy: -65.201
tors. eta vs tors. theta energy: -107.293
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: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1313.553841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.553841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.553841 (E_RNA)
where:
Base-Base interactions energy: -894.429
where: short stacking energy: -367.464
Base-Backbone interact. energy: -2.506
local terms energy: -416.618959
where:
bonds (distance) C4'-P energy: -62.015
bonds (distance) P-C4' energy: -80.561
flat angles C4'-P-C4' energy: -83.493
flat angles P-C4'-P energy: -63.067
tors. eta vs tors. theta energy: -127.482
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: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1039.653259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.653259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.653259 (E_RNA)
where:
Base-Base interactions energy: -678.203
where: short stacking energy: -282.109
Base-Backbone interact. energy: -1.127
local terms energy: -360.324127
where:
bonds (distance) C4'-P energy: -70.948
bonds (distance) P-C4' energy: -77.087
flat angles C4'-P-C4' energy: -79.101
flat angles P-C4'-P energy: -50.117
tors. eta vs tors. theta energy: -83.071
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: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -983.863539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.863539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.863539 (E_RNA)
where:
Base-Base interactions energy: -633.004
where: short stacking energy: -273.655
Base-Backbone interact. energy: 2.475
local terms energy: -353.333856
where:
bonds (distance) C4'-P energy: -68.004
bonds (distance) P-C4' energy: -74.234
flat angles C4'-P-C4' energy: -79.242
flat angles P-C4'-P energy: -57.622
tors. eta vs tors. theta energy: -74.232
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: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -782.303646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.303646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.303646 (E_RNA)
where:
Base-Base interactions energy: -484.028
where: short stacking energy: -209.933
Base-Backbone interact. energy: -1.690
local terms energy: -296.585997
where:
bonds (distance) C4'-P energy: -51.733
bonds (distance) P-C4' energy: -67.375
flat angles C4'-P-C4' energy: -88.341
flat angles P-C4'-P energy: -47.792
tors. eta vs tors. theta energy: -41.344
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: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -569.781587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.781587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.781587 (E_RNA)
where:
Base-Base interactions energy: -294.542
where: short stacking energy: -175.574
Base-Backbone interact. energy: -1.308
local terms energy: -273.931499
where:
bonds (distance) C4'-P energy: -67.723
bonds (distance) P-C4' energy: -63.326
flat angles C4'-P-C4' energy: -65.492
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -38.804
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -360.292357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.292357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.292357 (E_RNA)
where:
Base-Base interactions energy: -144.250
where: short stacking energy: -107.446
Base-Backbone interact. energy: 0.301
local terms energy: -216.343209
where:
bonds (distance) C4'-P energy: -66.923
bonds (distance) P-C4' energy: -68.406
flat angles C4'-P-C4' energy: -50.011
flat angles P-C4'-P energy: -43.604
tors. eta vs tors. theta energy: 12.602
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: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -407.805811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.805811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.805811 (E_RNA)
where:
Base-Base interactions energy: -209.125
where: short stacking energy: -121.323
Base-Backbone interact. energy: 1.261
local terms energy: -199.942126
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -63.271
flat angles C4'-P-C4' energy: -68.599
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: 4.305
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: 265
Temperature: 0.900000
Total energy: -1347.827756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.827756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.827756 (E_RNA)
where:
Base-Base interactions energy: -943.701
where: short stacking energy: -394.127
Base-Backbone interact. energy: -3.029
local terms energy: -401.097418
where:
bonds (distance) C4'-P energy: -72.192
bonds (distance) P-C4' energy: -80.514
flat angles C4'-P-C4' energy: -81.074
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -114.961
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: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1353.706518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.706518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.706518 (E_RNA)
where:
Base-Base interactions energy: -927.143
where: short stacking energy: -400.954
Base-Backbone interact. energy: -1.964
local terms energy: -424.598919
where:
bonds (distance) C4'-P energy: -68.831
bonds (distance) P-C4' energy: -86.289
flat angles C4'-P-C4' energy: -85.643
flat angles P-C4'-P energy: -57.208
tors. eta vs tors. theta energy: -126.627
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: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1260.969972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.969972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.969972 (E_RNA)
where:
Base-Base interactions energy: -867.744
where: short stacking energy: -362.082
Base-Backbone interact. energy: -0.168
local terms energy: -393.057219
where:
bonds (distance) C4'-P energy: -66.005
bonds (distance) P-C4' energy: -75.817
flat angles C4'-P-C4' energy: -87.385
flat angles P-C4'-P energy: -55.382
tors. eta vs tors. theta energy: -108.468
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: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1304.974618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.974618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.974618 (E_RNA)
where:
Base-Base interactions energy: -895.112
where: short stacking energy: -364.545
Base-Backbone interact. energy: 0.491
local terms energy: -410.353309
where:
bonds (distance) C4'-P energy: -74.946
bonds (distance) P-C4' energy: -71.510
flat angles C4'-P-C4' energy: -88.351
flat angles P-C4'-P energy: -63.147
tors. eta vs tors. theta energy: -112.399
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: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1059.491141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.491141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.491141 (E_RNA)
where:
Base-Base interactions energy: -694.210
where: short stacking energy: -323.417
Base-Backbone interact. energy: -0.513
local terms energy: -364.768214
where:
bonds (distance) C4'-P energy: -70.535
bonds (distance) P-C4' energy: -76.752
flat angles C4'-P-C4' energy: -70.098
flat angles P-C4'-P energy: -55.408
tors. eta vs tors. theta energy: -91.975
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: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -992.745595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.745595 (E_RNA)
where:
Base-Base interactions energy: -653.224
where: short stacking energy: -274.382
Base-Backbone interact. energy: -1.888
local terms energy: -337.633718
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -78.268
flat angles C4'-P-C4' energy: -82.224
flat angles P-C4'-P energy: -52.499
tors. eta vs tors. theta energy: -76.121
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: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -765.865412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.865412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.865412 (E_RNA)
where:
Base-Base interactions energy: -459.501
where: short stacking energy: -203.462
Base-Backbone interact. energy: -1.360
local terms energy: -305.004953
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -82.695
flat angles C4'-P-C4' energy: -72.573
flat angles P-C4'-P energy: -47.185
tors. eta vs tors. theta energy: -37.660
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: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -518.310981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.310981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.310981 (E_RNA)
where:
Base-Base interactions energy: -289.884
where: short stacking energy: -143.289
Base-Backbone interact. energy: 2.428
local terms energy: -230.855302
where:
bonds (distance) C4'-P energy: -58.789
bonds (distance) P-C4' energy: -63.850
flat angles C4'-P-C4' energy: -62.898
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: 3.355
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: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -370.877217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.877217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.877217 (E_RNA)
where:
Base-Base interactions energy: -130.678
where: short stacking energy: -92.657
Base-Backbone interact. energy: 0.584
local terms energy: -240.783363
where:
bonds (distance) C4'-P energy: -65.145
bonds (distance) P-C4' energy: -58.965
flat angles C4'-P-C4' energy: -67.139
flat angles P-C4'-P energy: -41.145
tors. eta vs tors. theta energy: -8.389
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: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -394.821759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.821759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.821759 (E_RNA)
where:
Base-Base interactions energy: -182.505
where: short stacking energy: -96.191
Base-Backbone interact. energy: -0.929
local terms energy: -211.388143
where:
bonds (distance) C4'-P energy: -61.783
bonds (distance) P-C4' energy: -79.513
flat angles C4'-P-C4' energy: -45.735
flat angles P-C4'-P energy: -21.516
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: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1360.717124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.717124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.717124 (E_RNA)
where:
Base-Base interactions energy: -916.993
where: short stacking energy: -357.188
Base-Backbone interact. energy: -3.250
local terms energy: -440.474573
where:
bonds (distance) C4'-P energy: -80.648
bonds (distance) P-C4' energy: -84.336
flat angles C4'-P-C4' energy: -95.736
flat angles P-C4'-P energy: -63.244
tors. eta vs tors. theta energy: -116.510
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: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1351.084583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.084583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.084583 (E_RNA)
where:
Base-Base interactions energy: -924.203
where: short stacking energy: -394.645
Base-Backbone interact. energy: -0.820
local terms energy: -426.062183
where:
bonds (distance) C4'-P energy: -76.870
bonds (distance) P-C4' energy: -80.710
flat angles C4'-P-C4' energy: -81.362
flat angles P-C4'-P energy: -59.706
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: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1306.569396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.569396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.569396 (E_RNA)
where:
Base-Base interactions energy: -891.520
where: short stacking energy: -353.019
Base-Backbone interact. energy: 0.448
local terms energy: -415.498062
where:
bonds (distance) C4'-P energy: -84.641
bonds (distance) P-C4' energy: -83.709
flat angles C4'-P-C4' energy: -90.379
flat angles P-C4'-P energy: -51.061
tors. eta vs tors. theta energy: -105.709
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: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1210.326924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.326924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.326924 (E_RNA)
where:
Base-Base interactions energy: -810.313
where: short stacking energy: -355.002
Base-Backbone interact. energy: 1.337
local terms energy: -401.351553
where:
bonds (distance) C4'-P energy: -70.199
bonds (distance) P-C4' energy: -84.758
flat angles C4'-P-C4' energy: -83.351
flat angles P-C4'-P energy: -47.072
tors. eta vs tors. theta energy: -115.971
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: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1092.615155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.615155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.615155 (E_RNA)
where:
Base-Base interactions energy: -700.767
where: short stacking energy: -326.155
Base-Backbone interact. energy: -0.759
local terms energy: -391.089481
where:
bonds (distance) C4'-P energy: -87.849
bonds (distance) P-C4' energy: -66.940
flat angles C4'-P-C4' energy: -82.975
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -99.095
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: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -981.110004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.110004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.110004 (E_RNA)
where:
Base-Base interactions energy: -646.435
where: short stacking energy: -265.951
Base-Backbone interact. energy: -1.181
local terms energy: -333.494553
where:
bonds (distance) C4'-P energy: -71.846
bonds (distance) P-C4' energy: -69.191
flat angles C4'-P-C4' energy: -78.954
flat angles P-C4'-P energy: -38.256
tors. eta vs tors. theta energy: -75.248
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: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -762.368116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.368116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.368116 (E_RNA)
where:
Base-Base interactions energy: -466.192
where: short stacking energy: -234.499
Base-Backbone interact. energy: -0.165
local terms energy: -296.010856
where:
bonds (distance) C4'-P energy: -65.690
bonds (distance) P-C4' energy: -62.234
flat angles C4'-P-C4' energy: -69.705
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -51.334
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: 266
Temperature: 1.250000
Total energy: -527.735812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.735812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.735812 (E_RNA)
where:
Base-Base interactions energy: -284.161
where: short stacking energy: -152.476
Base-Backbone interact. energy: -1.105
local terms energy: -242.469329
where:
bonds (distance) C4'-P energy: -53.147
bonds (distance) P-C4' energy: -79.731
flat angles C4'-P-C4' energy: -58.217
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -15.237
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: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -418.347143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.347143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.347143 (E_RNA)
where:
Base-Base interactions energy: -177.890
where: short stacking energy: -94.259
Base-Backbone interact. energy: -0.161
local terms energy: -240.296515
where:
bonds (distance) C4'-P energy: -66.304
bonds (distance) P-C4' energy: -68.399
flat angles C4'-P-C4' energy: -66.841
flat angles P-C4'-P energy: -50.033
tors. eta vs tors. theta energy: 11.280
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: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -313.970142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.970142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.970142 (E_RNA)
where:
Base-Base interactions energy: -103.176
where: short stacking energy: -79.046
Base-Backbone interact. energy: 1.005
local terms energy: -211.799447
where:
bonds (distance) C4'-P energy: -59.977
bonds (distance) P-C4' energy: -62.164
flat angles C4'-P-C4' energy: -60.134
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: 13.514
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: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1371.017052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.017052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.017052 (E_RNA)
where:
Base-Base interactions energy: -933.976
where: short stacking energy: -385.518
Base-Backbone interact. energy: -2.836
local terms energy: -434.204300
where:
bonds (distance) C4'-P energy: -77.884
bonds (distance) P-C4' energy: -80.256
flat angles C4'-P-C4' energy: -86.858
flat angles P-C4'-P energy: -64.272
tors. eta vs tors. theta energy: -124.935
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: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1366.874485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.874485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.874485 (E_RNA)
where:
Base-Base interactions energy: -938.427
where: short stacking energy: -385.697
Base-Backbone interact. energy: -2.160
local terms energy: -426.287050
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -81.672
flat angles C4'-P-C4' energy: -93.732
flat angles P-C4'-P energy: -58.811
tors. eta vs tors. theta energy: -120.657
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: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1296.905325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.905325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.905325 (E_RNA)
where:
Base-Base interactions energy: -891.175
where: short stacking energy: -373.966
Base-Backbone interact. energy: -2.292
local terms energy: -403.438034
where:
bonds (distance) C4'-P energy: -78.386
bonds (distance) P-C4' energy: -67.771
flat angles C4'-P-C4' energy: -79.922
flat angles P-C4'-P energy: -62.332
tors. eta vs tors. theta energy: -115.028
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: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1188.587470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.587470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.587470 (E_RNA)
where:
Base-Base interactions energy: -795.862
where: short stacking energy: -343.556
Base-Backbone interact. energy: -1.101
local terms energy: -391.624233
where:
bonds (distance) C4'-P energy: -68.448
bonds (distance) P-C4' energy: -79.923
flat angles C4'-P-C4' energy: -81.502
flat angles P-C4'-P energy: -55.636
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: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1095.857909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.857909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.857909 (E_RNA)
where:
Base-Base interactions energy: -743.706
where: short stacking energy: -343.248
Base-Backbone interact. energy: 1.207
local terms energy: -353.359062
where:
bonds (distance) C4'-P energy: -61.759
bonds (distance) P-C4' energy: -74.905
flat angles C4'-P-C4' energy: -84.246
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -99.572
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: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1026.723562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.723562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.723562 (E_RNA)
where:
Base-Base interactions energy: -677.788
where: short stacking energy: -289.591
Base-Backbone interact. energy: -1.347
local terms energy: -347.587724
where:
bonds (distance) C4'-P energy: -69.037
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -75.192
flat angles P-C4'-P energy: -52.370
tors. eta vs tors. theta energy: -85.049
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: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -791.224496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.224496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.224496 (E_RNA)
where:
Base-Base interactions energy: -516.269
where: short stacking energy: -246.073
Base-Backbone interact. energy: -0.481
local terms energy: -274.473831
where:
bonds (distance) C4'-P energy: -61.082
bonds (distance) P-C4' energy: -59.575
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -56.161
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: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -579.627624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.627624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.627624 (E_RNA)
where:
Base-Base interactions energy: -337.924
where: short stacking energy: -165.143
Base-Backbone interact. energy: -1.888
local terms energy: -239.815620
where:
bonds (distance) C4'-P energy: -60.342
bonds (distance) P-C4' energy: -61.978
flat angles C4'-P-C4' energy: -64.239
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -8.244
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -451.033220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.033220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.033220 (E_RNA)
where:
Base-Base interactions energy: -220.672
where: short stacking energy: -124.800
Base-Backbone interact. energy: -2.847
local terms energy: -227.513788
where:
bonds (distance) C4'-P energy: -58.693
bonds (distance) P-C4' energy: -73.466
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -7.640
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: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -322.752095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.752095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.752095 (E_RNA)
where:
Base-Base interactions energy: -109.606
where: short stacking energy: -75.276
Base-Backbone interact. energy: -1.382
local terms energy: -211.765019
where:
bonds (distance) C4'-P energy: -55.842
bonds (distance) P-C4' energy: -78.791
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -39.481
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: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1351.239926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.239926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.239926 (E_RNA)
where:
Base-Base interactions energy: -918.835
where: short stacking energy: -370.015
Base-Backbone interact. energy: -1.000
local terms energy: -431.404723
where:
bonds (distance) C4'-P energy: -75.338
bonds (distance) P-C4' energy: -85.011
flat angles C4'-P-C4' energy: -91.397
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: -119.632
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: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1377.965052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.965052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.965052 (E_RNA)
where:
Base-Base interactions energy: -938.198
where: short stacking energy: -397.704
Base-Backbone interact. energy: -0.975
local terms energy: -438.791631
where:
bonds (distance) C4'-P energy: -75.606
bonds (distance) P-C4' energy: -84.911
flat angles C4'-P-C4' energy: -89.598
flat angles P-C4'-P energy: -64.019
tors. eta vs tors. theta energy: -124.657
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: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1297.062848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.062848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.062848 (E_RNA)
where:
Base-Base interactions energy: -901.602
where: short stacking energy: -381.449
Base-Backbone interact. energy: -1.463
local terms energy: -393.997645
where:
bonds (distance) C4'-P energy: -72.230
bonds (distance) P-C4' energy: -76.335
flat angles C4'-P-C4' energy: -84.535
flat angles P-C4'-P energy: -50.614
tors. eta vs tors. theta energy: -110.284
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: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1197.478687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.478687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.478687 (E_RNA)
where:
Base-Base interactions energy: -805.428
where: short stacking energy: -351.010
Base-Backbone interact. energy: -1.644
local terms energy: -390.406694
where:
bonds (distance) C4'-P energy: -64.995
bonds (distance) P-C4' energy: -72.057
flat angles C4'-P-C4' energy: -80.770
flat angles P-C4'-P energy: -60.185
tors. eta vs tors. theta energy: -112.400
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1069.261828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.261828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.261828 (E_RNA)
where:
Base-Base interactions energy: -721.451
where: short stacking energy: -300.702
Base-Backbone interact. energy: -1.504
local terms energy: -346.307126
where:
bonds (distance) C4'-P energy: -72.586
bonds (distance) P-C4' energy: -68.164
flat angles C4'-P-C4' energy: -66.879
flat angles P-C4'-P energy: -53.992
tors. eta vs tors. theta energy: -84.686
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: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1041.893663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.893663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.893663 (E_RNA)
where:
Base-Base interactions energy: -688.908
where: short stacking energy: -314.144
Base-Backbone interact. energy: 0.236
local terms energy: -353.221270
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -69.624
flat angles C4'-P-C4' energy: -81.463
flat angles P-C4'-P energy: -47.742
tors. eta vs tors. theta energy: -85.277
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: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -809.104487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.104487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.104487 (E_RNA)
where:
Base-Base interactions energy: -509.658
where: short stacking energy: -213.623
Base-Backbone interact. energy: -2.378
local terms energy: -297.068475
where:
bonds (distance) C4'-P energy: -78.726
bonds (distance) P-C4' energy: -60.278
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -58.800
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: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -607.824715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.824715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.824715 (E_RNA)
where:
Base-Base interactions energy: -354.555
where: short stacking energy: -188.591
Base-Backbone interact. energy: -1.037
local terms energy: -252.232905
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -73.192
flat angles C4'-P-C4' energy: -45.681
flat angles P-C4'-P energy: -50.872
tors. eta vs tors. theta energy: -24.889
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: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -431.754766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.754766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.754766 (E_RNA)
where:
Base-Base interactions energy: -210.027
where: short stacking energy: -115.904
Base-Backbone interact. energy: -0.878
local terms energy: -220.849709
where:
bonds (distance) C4'-P energy: -64.011
bonds (distance) P-C4' energy: -81.825
flat angles C4'-P-C4' energy: -59.105
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: 15.914
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -303.383746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.383746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.383746 (E_RNA)
where:
Base-Base interactions energy: -121.827
where: short stacking energy: -110.659
Base-Backbone interact. energy: -1.448
local terms energy: -180.109000
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -54.299
flat angles C4'-P-C4' energy: -59.243
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: 12.655
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1364.148009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.148009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.148009 (E_RNA)
where:
Base-Base interactions energy: -933.760
where: short stacking energy: -384.082
Base-Backbone interact. energy: 0.919
local terms energy: -431.306832
where:
bonds (distance) C4'-P energy: -86.197
bonds (distance) P-C4' energy: -80.784
flat angles C4'-P-C4' energy: -92.042
flat angles P-C4'-P energy: -63.486
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: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1326.958333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.958333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.958333 (E_RNA)
where:
Base-Base interactions energy: -931.425
where: short stacking energy: -373.440
Base-Backbone interact. energy: -0.833
local terms energy: -394.699974
where:
bonds (distance) C4'-P energy: -78.200
bonds (distance) P-C4' energy: -67.883
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -53.413
tors. eta vs tors. theta energy: -114.900
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: 269
Temperature: 1.000000
Total energy: -1247.946162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.946162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.946162 (E_RNA)
where:
Base-Base interactions energy: -843.141
where: short stacking energy: -355.377
Base-Backbone interact. energy: 0.256
local terms energy: -405.060827
where:
bonds (distance) C4'-P energy: -70.272
bonds (distance) P-C4' energy: -74.497
flat angles C4'-P-C4' energy: -95.411
flat angles P-C4'-P energy: -60.339
tors. eta vs tors. theta energy: -104.542
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: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1218.128956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.128956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.128956 (E_RNA)
where:
Base-Base interactions energy: -837.936
where: short stacking energy: -345.557
Base-Backbone interact. energy: 1.971
local terms energy: -382.163189
where:
bonds (distance) C4'-P energy: -74.252
bonds (distance) P-C4' energy: -70.010
flat angles C4'-P-C4' energy: -83.822
flat angles P-C4'-P energy: -53.887
tors. eta vs tors. theta energy: -100.192
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: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1049.384424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.384424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.384424 (E_RNA)
where:
Base-Base interactions energy: -690.868
where: short stacking energy: -289.241
Base-Backbone interact. energy: 1.481
local terms energy: -359.997788
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -68.303
flat angles C4'-P-C4' energy: -81.891
flat angles P-C4'-P energy: -49.110
tors. eta vs tors. theta energy: -81.266
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1032.041911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.041911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.041911 (E_RNA)
where:
Base-Base interactions energy: -694.968
where: short stacking energy: -310.049
Base-Backbone interact. energy: -0.522
local terms energy: -336.551211
where:
bonds (distance) C4'-P energy: -74.456
bonds (distance) P-C4' energy: -69.747
flat angles C4'-P-C4' energy: -65.251
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -88.641
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -850.255080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.255080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.255080 (E_RNA)
where:
Base-Base interactions energy: -549.894
where: short stacking energy: -247.737
Base-Backbone interact. energy: -0.373
local terms energy: -299.988768
where:
bonds (distance) C4'-P energy: -53.053
bonds (distance) P-C4' energy: -65.833
flat angles C4'-P-C4' energy: -73.264
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -65.145
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: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -620.247582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.247582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.247582 (E_RNA)
where:
Base-Base interactions energy: -341.344
where: short stacking energy: -174.293
Base-Backbone interact. energy: 2.166
local terms energy: -281.069108
where:
bonds (distance) C4'-P energy: -77.048
bonds (distance) P-C4' energy: -61.648
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -33.482
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: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -406.800738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.800738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.800738 (E_RNA)
where:
Base-Base interactions energy: -179.553
where: short stacking energy: -100.755
Base-Backbone interact. energy: 2.845
local terms energy: -230.092327
where:
bonds (distance) C4'-P energy: -76.533
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -34.212
tors. eta vs tors. theta energy: 2.279
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: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -310.227172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.227172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.227172 (E_RNA)
where:
Base-Base interactions energy: -104.884
where: short stacking energy: -88.277
Base-Backbone interact. energy: 6.948
local terms energy: -212.291173
where:
bonds (distance) C4'-P energy: -69.389
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -56.295
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: 9.478
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: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1369.731446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.731446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.731446 (E_RNA)
where:
Base-Base interactions energy: -957.181
where: short stacking energy: -398.079
Base-Backbone interact. energy: -3.202
local terms energy: -409.347956
where:
bonds (distance) C4'-P energy: -76.298
bonds (distance) P-C4' energy: -77.362
flat angles C4'-P-C4' energy: -88.470
flat angles P-C4'-P energy: -50.924
tors. eta vs tors. theta energy: -116.294
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: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1342.705602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.705602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.705602 (E_RNA)
where:
Base-Base interactions energy: -930.317
where: short stacking energy: -376.047
Base-Backbone interact. energy: -1.669
local terms energy: -410.719247
where:
bonds (distance) C4'-P energy: -71.563
bonds (distance) P-C4' energy: -74.714
flat angles C4'-P-C4' energy: -90.702
flat angles P-C4'-P energy: -55.836
tors. eta vs tors. theta energy: -117.904
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: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1315.282513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.282513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.282513 (E_RNA)
where:
Base-Base interactions energy: -911.093
where: short stacking energy: -387.564
Base-Backbone interact. energy: -1.545
local terms energy: -402.645214
where:
bonds (distance) C4'-P energy: -77.020
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -80.664
flat angles P-C4'-P energy: -56.300
tors. eta vs tors. theta energy: -110.158
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: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1184.382748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.382748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.382748 (E_RNA)
where:
Base-Base interactions energy: -802.159
where: short stacking energy: -324.409
Base-Backbone interact. energy: -2.995
local terms energy: -379.229595
where:
bonds (distance) C4'-P energy: -70.728
bonds (distance) P-C4' energy: -71.593
flat angles C4'-P-C4' energy: -81.153
flat angles P-C4'-P energy: -65.700
tors. eta vs tors. theta energy: -90.056
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: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1087.455628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.455628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.455628 (E_RNA)
where:
Base-Base interactions energy: -720.522
where: short stacking energy: -315.256
Base-Backbone interact. energy: 0.852
local terms energy: -367.785904
where:
bonds (distance) C4'-P energy: -68.466
bonds (distance) P-C4' energy: -73.532
flat angles C4'-P-C4' energy: -78.608
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -97.134
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: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1011.470636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.470636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.470636 (E_RNA)
where:
Base-Base interactions energy: -657.443
where: short stacking energy: -299.555
Base-Backbone interact. energy: -0.344
local terms energy: -353.683763
where:
bonds (distance) C4'-P energy: -82.240
bonds (distance) P-C4' energy: -78.552
flat angles C4'-P-C4' energy: -65.614
flat angles P-C4'-P energy: -40.287
tors. eta vs tors. theta energy: -86.991
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: 270
Temperature: 1.200000
Total energy: -797.578061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.578061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.578061 (E_RNA)
where:
Base-Base interactions energy: -496.720
where: short stacking energy: -231.537
Base-Backbone interact. energy: -0.600
local terms energy: -300.258621
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -49.058
tors. eta vs tors. theta energy: -48.687
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: 270
Temperature: 1.250000
Total energy: -573.039072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.039072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.039072 (E_RNA)
where:
Base-Base interactions energy: -309.012
where: short stacking energy: -144.349
Base-Backbone interact. energy: 1.230
local terms energy: -265.257050
where:
bonds (distance) C4'-P energy: -73.583
bonds (distance) P-C4' energy: -73.299
flat angles C4'-P-C4' energy: -66.701
flat angles P-C4'-P energy: -32.670
tors. eta vs tors. theta energy: -19.004
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: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -423.578822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.578822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.578822 (E_RNA)
where:
Base-Base interactions energy: -194.725
where: short stacking energy: -97.165
Base-Backbone interact. energy: 1.328
local terms energy: -230.182039
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -74.326
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: 2.057
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: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -328.009546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.009546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.009546 (E_RNA)
where:
Base-Base interactions energy: -134.865
where: short stacking energy: -90.223
Base-Backbone interact. energy: -1.274
local terms energy: -191.870475
where:
bonds (distance) C4'-P energy: -56.311
bonds (distance) P-C4' energy: -62.891
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -29.145
tors. eta vs tors. theta energy: 6.727
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: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1392.544772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.544772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.544772 (E_RNA)
where:
Base-Base interactions energy: -947.208
where: short stacking energy: -387.015
Base-Backbone interact. energy: -1.808
local terms energy: -443.528757
where:
bonds (distance) C4'-P energy: -81.852
bonds (distance) P-C4' energy: -79.327
flat angles C4'-P-C4' energy: -96.226
flat angles P-C4'-P energy: -70.640
tors. eta vs tors. theta energy: -115.483
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: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1341.574740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.574740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.574740 (E_RNA)
where:
Base-Base interactions energy: -934.435
where: short stacking energy: -378.870
Base-Backbone interact. energy: -1.340
local terms energy: -405.799924
where:
bonds (distance) C4'-P energy: -79.705
bonds (distance) P-C4' energy: -78.226
flat angles C4'-P-C4' energy: -85.282
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -110.100
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: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1318.032942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.032942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.032942 (E_RNA)
where:
Base-Base interactions energy: -915.746
where: short stacking energy: -373.665
Base-Backbone interact. energy: 1.976
local terms energy: -404.263163
where:
bonds (distance) C4'-P energy: -72.909
bonds (distance) P-C4' energy: -84.201
flat angles C4'-P-C4' energy: -86.073
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -111.396
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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1246.457629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.457629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.457629 (E_RNA)
where:
Base-Base interactions energy: -852.526
where: short stacking energy: -348.832
Base-Backbone interact. energy: -1.185
local terms energy: -392.747149
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -84.586
flat angles C4'-P-C4' energy: -76.042
flat angles P-C4'-P energy: -56.833
tors. eta vs tors. theta energy: -102.951
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: 271
Temperature: 1.100000
Total energy: -1081.327163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.327163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.327163 (E_RNA)
where:
Base-Base interactions energy: -712.299
where: short stacking energy: -302.682
Base-Backbone interact. energy: -1.060
local terms energy: -367.968777
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -73.362
flat angles C4'-P-C4' energy: -80.072
flat angles P-C4'-P energy: -59.460
tors. eta vs tors. theta energy: -89.551
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: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -997.212965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.212965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.212965 (E_RNA)
where:
Base-Base interactions energy: -678.583
where: short stacking energy: -304.729
Base-Backbone interact. energy: -0.968
local terms energy: -317.661283
where:
bonds (distance) C4'-P energy: -65.785
bonds (distance) P-C4' energy: -60.681
flat angles C4'-P-C4' energy: -67.752
flat angles P-C4'-P energy: -36.034
tors. eta vs tors. theta energy: -87.410
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: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -794.749073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.749073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.749073 (E_RNA)
where:
Base-Base interactions energy: -522.337
where: short stacking energy: -231.266
Base-Backbone interact. energy: 0.876
local terms energy: -273.288135
where:
bonds (distance) C4'-P energy: -67.118
bonds (distance) P-C4' energy: -58.919
flat angles C4'-P-C4' energy: -65.789
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -45.311
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: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -579.797306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.797306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.797306 (E_RNA)
where:
Base-Base interactions energy: -318.325
where: short stacking energy: -171.612
Base-Backbone interact. energy: -1.103
local terms energy: -260.369636
where:
bonds (distance) C4'-P energy: -75.009
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -69.004
flat angles P-C4'-P energy: -27.109
tors. eta vs tors. theta energy: -20.912
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: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -447.499184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.499184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.499184 (E_RNA)
where:
Base-Base interactions energy: -233.804
where: short stacking energy: -123.543
Base-Backbone interact. energy: 1.397
local terms energy: -215.092149
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: 5.304
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: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -362.779350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.779350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.779350 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -79.805
Base-Backbone interact. energy: 0.218
local terms energy: -228.809390
where:
bonds (distance) C4'-P energy: -79.456
bonds (distance) P-C4' energy: -70.830
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: 16.629
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: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1380.877415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.877415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.877415 (E_RNA)
where:
Base-Base interactions energy: -958.976
where: short stacking energy: -398.407
Base-Backbone interact. energy: -0.748
local terms energy: -421.153616
where:
bonds (distance) C4'-P energy: -80.584
bonds (distance) P-C4' energy: -75.410
flat angles C4'-P-C4' energy: -86.225
flat angles P-C4'-P energy: -61.704
tors. eta vs tors. theta energy: -117.231
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: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1334.460201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.460201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.460201 (E_RNA)
where:
Base-Base interactions energy: -903.413
where: short stacking energy: -373.267
Base-Backbone interact. energy: -0.088
local terms energy: -430.959060
where:
bonds (distance) C4'-P energy: -76.723
bonds (distance) P-C4' energy: -80.585
flat angles C4'-P-C4' energy: -89.401
flat angles P-C4'-P energy: -57.317
tors. eta vs tors. theta energy: -126.934
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: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1301.785034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.785034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.785034 (E_RNA)
where:
Base-Base interactions energy: -901.379
where: short stacking energy: -376.671
Base-Backbone interact. energy: -1.004
local terms energy: -399.401799
where:
bonds (distance) C4'-P energy: -74.265
bonds (distance) P-C4' energy: -71.393
flat angles C4'-P-C4' energy: -84.938
flat angles P-C4'-P energy: -59.574
tors. eta vs tors. theta energy: -109.231
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: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1195.334254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.334254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.334254 (E_RNA)
where:
Base-Base interactions energy: -790.122
where: short stacking energy: -340.038
Base-Backbone interact. energy: -1.942
local terms energy: -403.270267
where:
bonds (distance) C4'-P energy: -80.729
bonds (distance) P-C4' energy: -73.010
flat angles C4'-P-C4' energy: -86.769
flat angles P-C4'-P energy: -55.124
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: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1072.303437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.303437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.303437 (E_RNA)
where:
Base-Base interactions energy: -713.903
where: short stacking energy: -291.084
Base-Backbone interact. energy: -1.138
local terms energy: -357.262405
where:
bonds (distance) C4'-P energy: -72.095
bonds (distance) P-C4' energy: -70.734
flat angles C4'-P-C4' energy: -81.527
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -79.875
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: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1019.999991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.999991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.999991 (E_RNA)
where:
Base-Base interactions energy: -638.800
where: short stacking energy: -281.546
Base-Backbone interact. energy: -1.046
local terms energy: -380.153916
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -82.981
flat angles C4'-P-C4' energy: -84.919
flat angles P-C4'-P energy: -54.728
tors. eta vs tors. theta energy: -82.811
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: 272
Temperature: 1.200000
Total energy: -788.938981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.938981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.938981 (E_RNA)
where:
Base-Base interactions energy: -494.091
where: short stacking energy: -221.073
Base-Backbone interact. energy: 0.317
local terms energy: -295.165320
where:
bonds (distance) C4'-P energy: -64.784
bonds (distance) P-C4' energy: -63.456
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -52.541
tors. eta vs tors. theta energy: -44.335
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: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -537.362797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.362797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.362797 (E_RNA)
where:
Base-Base interactions energy: -290.311
where: short stacking energy: -137.507
Base-Backbone interact. energy: 2.122
local terms energy: -249.174426
where:
bonds (distance) C4'-P energy: -67.082
bonds (distance) P-C4' energy: -64.181
flat angles C4'-P-C4' energy: -67.579
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -10.037
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -470.235353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.235353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.235353 (E_RNA)
where:
Base-Base interactions energy: -252.987
where: short stacking energy: -117.213
Base-Backbone interact. energy: 0.926
local terms energy: -218.174878
where:
bonds (distance) C4'-P energy: -58.455
bonds (distance) P-C4' energy: -67.441
flat angles C4'-P-C4' energy: -63.073
flat angles P-C4'-P energy: -29.815
tors. eta vs tors. theta energy: 0.609
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: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -334.873003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.873003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.873003 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -90.395
Base-Backbone interact. energy: -2.450
local terms energy: -213.127038
where:
bonds (distance) C4'-P energy: -57.252
bonds (distance) P-C4' energy: -71.513
flat angles C4'-P-C4' energy: -66.845
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: 8.688
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: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1384.673091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.673091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.673091 (E_RNA)
where:
Base-Base interactions energy: -947.466
where: short stacking energy: -389.005
Base-Backbone interact. energy: 1.974
local terms energy: -439.181437
where:
bonds (distance) C4'-P energy: -76.113
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -94.838
flat angles P-C4'-P energy: -70.411
tors. eta vs tors. theta energy: -120.574
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: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1335.166424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.166424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.166424 (E_RNA)
where:
Base-Base interactions energy: -937.304
where: short stacking energy: -389.028
Base-Backbone interact. energy: -0.246
local terms energy: -397.616846
where:
bonds (distance) C4'-P energy: -69.463
bonds (distance) P-C4' energy: -74.694
flat angles C4'-P-C4' energy: -86.332
flat angles P-C4'-P energy: -51.794
tors. eta vs tors. theta energy: -115.334
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: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1305.712818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.712818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.712818 (E_RNA)
where:
Base-Base interactions energy: -903.924
where: short stacking energy: -361.404
Base-Backbone interact. energy: -1.654
local terms energy: -400.134272
where:
bonds (distance) C4'-P energy: -71.392
bonds (distance) P-C4' energy: -76.654
flat angles C4'-P-C4' energy: -91.899
flat angles P-C4'-P energy: -51.423
tors. eta vs tors. theta energy: -108.766
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: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1179.921486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.921486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.921486 (E_RNA)
where:
Base-Base interactions energy: -788.128
where: short stacking energy: -348.274
Base-Backbone interact. energy: -0.519
local terms energy: -391.273988
where:
bonds (distance) C4'-P energy: -72.905
bonds (distance) P-C4' energy: -76.121
flat angles C4'-P-C4' energy: -88.875
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -96.435
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: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1082.717358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.717358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.717358 (E_RNA)
where:
Base-Base interactions energy: -728.338
where: short stacking energy: -315.084
Base-Backbone interact. energy: -4.198
local terms energy: -350.181078
where:
bonds (distance) C4'-P energy: -63.481
bonds (distance) P-C4' energy: -63.835
flat angles C4'-P-C4' energy: -79.006
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -85.398
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: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1025.314611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.314611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.314611 (E_RNA)
where:
Base-Base interactions energy: -653.392
where: short stacking energy: -321.033
Base-Backbone interact. energy: -0.663
local terms energy: -371.260325
where:
bonds (distance) C4'-P energy: -74.646
bonds (distance) P-C4' energy: -73.928
flat angles C4'-P-C4' energy: -82.462
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -93.570
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: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -804.912469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.912469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.912469 (E_RNA)
where:
Base-Base interactions energy: -530.332
where: short stacking energy: -223.260
Base-Backbone interact. energy: -1.767
local terms energy: -272.814429
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -47.694
flat angles C4'-P-C4' energy: -73.949
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: -52.978
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -518.205387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.205387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.205387 (E_RNA)
where:
Base-Base interactions energy: -264.145
where: short stacking energy: -149.103
Base-Backbone interact. energy: 0.670
local terms energy: -254.730266
where:
bonds (distance) C4'-P energy: -66.343
bonds (distance) P-C4' energy: -68.946
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -54.617
tors. eta vs tors. theta energy: -6.576
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: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -429.092383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.092383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.092383 (E_RNA)
where:
Base-Base interactions energy: -198.736
where: short stacking energy: -95.103
Base-Backbone interact. energy: -0.815
local terms energy: -229.541742
where:
bonds (distance) C4'-P energy: -61.369
bonds (distance) P-C4' energy: -72.795
flat angles C4'-P-C4' energy: -58.289
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: 11.031
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: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -331.705977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.705977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.705977 (E_RNA)
where:
Base-Base interactions energy: -105.406
where: short stacking energy: -84.679
Base-Backbone interact. energy: 2.833
local terms energy: -229.132826
where:
bonds (distance) C4'-P energy: -76.804
bonds (distance) P-C4' energy: -69.297
flat angles C4'-P-C4' energy: -68.422
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: 10.679
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: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1390.951288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.951288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.951288 (E_RNA)
where:
Base-Base interactions energy: -970.795
where: short stacking energy: -395.560
Base-Backbone interact. energy: 2.313
local terms energy: -422.469244
where:
bonds (distance) C4'-P energy: -77.685
bonds (distance) P-C4' energy: -76.094
flat angles C4'-P-C4' energy: -93.457
flat angles P-C4'-P energy: -53.691
tors. eta vs tors. theta energy: -121.542
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1342.140345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.140345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.140345 (E_RNA)
where:
Base-Base interactions energy: -935.750
where: short stacking energy: -390.543
Base-Backbone interact. energy: -1.536
local terms energy: -404.854696
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -76.219
flat angles C4'-P-C4' energy: -87.363
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -123.959
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: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1333.313054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.313054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.313054 (E_RNA)
where:
Base-Base interactions energy: -918.946
where: short stacking energy: -384.346
Base-Backbone interact. energy: -2.788
local terms energy: -411.578316
where:
bonds (distance) C4'-P energy: -80.424
bonds (distance) P-C4' energy: -72.262
flat angles C4'-P-C4' energy: -92.919
flat angles P-C4'-P energy: -54.267
tors. eta vs tors. theta energy: -111.706
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: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1135.425055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.425055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.425055 (E_RNA)
where:
Base-Base interactions energy: -750.268
where: short stacking energy: -319.363
Base-Backbone interact. energy: -1.705
local terms energy: -383.451824
where:
bonds (distance) C4'-P energy: -80.938
bonds (distance) P-C4' energy: -67.790
flat angles C4'-P-C4' energy: -82.504
flat angles P-C4'-P energy: -62.013
tors. eta vs tors. theta energy: -90.207
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: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1083.347441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.347441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.347441 (E_RNA)
where:
Base-Base interactions energy: -728.573
where: short stacking energy: -314.988
Base-Backbone interact. energy: 1.228
local terms energy: -356.001997
where:
bonds (distance) C4'-P energy: -67.021
bonds (distance) P-C4' energy: -76.195
flat angles C4'-P-C4' energy: -76.710
flat angles P-C4'-P energy: -43.205
tors. eta vs tors. theta energy: -92.872
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: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -917.285255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.285255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.285255 (E_RNA)
where:
Base-Base interactions energy: -604.378
where: short stacking energy: -273.442
Base-Backbone interact. energy: -2.541
local terms energy: -310.366159
where:
bonds (distance) C4'-P energy: -72.632
bonds (distance) P-C4' energy: -70.610
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -43.797
tors. eta vs tors. theta energy: -65.247
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: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -809.407398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.407398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.407398 (E_RNA)
where:
Base-Base interactions energy: -491.634
where: short stacking energy: -229.636
Base-Backbone interact. energy: -0.749
local terms energy: -317.024008
where:
bonds (distance) C4'-P energy: -74.690
bonds (distance) P-C4' energy: -63.634
flat angles C4'-P-C4' energy: -71.106
flat angles P-C4'-P energy: -45.468
tors. eta vs tors. theta energy: -62.127
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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -540.433385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.433385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.433385 (E_RNA)
where:
Base-Base interactions energy: -295.000
where: short stacking energy: -161.986
Base-Backbone interact. energy: 1.683
local terms energy: -247.116434
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -64.132
flat angles C4'-P-C4' energy: -66.071
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -12.474
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -339.654781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.654781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.654781 (E_RNA)
where:
Base-Base interactions energy: -117.556
where: short stacking energy: -84.318
Base-Backbone interact. energy: 3.733
local terms energy: -225.831776
where:
bonds (distance) C4'-P energy: -64.789
bonds (distance) P-C4' energy: -78.640
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: 3.442
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: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -409.685400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.685400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.685400 (E_RNA)
where:
Base-Base interactions energy: -182.724
where: short stacking energy: -106.773
Base-Backbone interact. energy: 1.321
local terms energy: -228.282720
where:
bonds (distance) C4'-P energy: -62.771
bonds (distance) P-C4' energy: -55.921
flat angles C4'-P-C4' energy: -61.857
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: 5.780
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: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1398.386123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.386123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.386123 (E_RNA)
where:
Base-Base interactions energy: -971.494
where: short stacking energy: -401.441
Base-Backbone interact. energy: -0.260
local terms energy: -426.632131
where:
bonds (distance) C4'-P energy: -69.863
bonds (distance) P-C4' energy: -82.517
flat angles C4'-P-C4' energy: -95.193
flat angles P-C4'-P energy: -63.649
tors. eta vs tors. theta energy: -115.410
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: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1341.272712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.272712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.272712 (E_RNA)
where:
Base-Base interactions energy: -931.180
where: short stacking energy: -367.433
Base-Backbone interact. energy: -1.201
local terms energy: -408.891664
where:
bonds (distance) C4'-P energy: -72.781
bonds (distance) P-C4' energy: -79.950
flat angles C4'-P-C4' energy: -91.014
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -117.000
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: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1306.757331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.757331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.757331 (E_RNA)
where:
Base-Base interactions energy: -891.706
where: short stacking energy: -363.643
Base-Backbone interact. energy: 0.648
local terms energy: -415.699460
where:
bonds (distance) C4'-P energy: -82.371
bonds (distance) P-C4' energy: -76.453
flat angles C4'-P-C4' energy: -81.244
flat angles P-C4'-P energy: -61.194
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: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1136.318798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.318798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.318798 (E_RNA)
where:
Base-Base interactions energy: -776.710
where: short stacking energy: -322.362
Base-Backbone interact. energy: -1.235
local terms energy: -358.374116
where:
bonds (distance) C4'-P energy: -68.482
bonds (distance) P-C4' energy: -72.254
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -85.941
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: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1066.843769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.843769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.843769 (E_RNA)
where:
Base-Base interactions energy: -721.210
where: short stacking energy: -299.739
Base-Backbone interact. energy: -1.578
local terms energy: -344.055464
where:
bonds (distance) C4'-P energy: -51.011
bonds (distance) P-C4' energy: -75.784
flat angles C4'-P-C4' energy: -78.493
flat angles P-C4'-P energy: -57.718
tors. eta vs tors. theta energy: -81.049
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: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -898.086397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.086397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.086397 (E_RNA)
where:
Base-Base interactions energy: -568.083
where: short stacking energy: -267.251
Base-Backbone interact. energy: -0.249
local terms energy: -329.754304
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -73.225
flat angles C4'-P-C4' energy: -77.277
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -78.727
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: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -847.597334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.597334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.597334 (E_RNA)
where:
Base-Base interactions energy: -550.867
where: short stacking energy: -247.279
Base-Backbone interact. energy: -1.253
local terms energy: -295.478073
where:
bonds (distance) C4'-P energy: -58.564
bonds (distance) P-C4' energy: -64.143
flat angles C4'-P-C4' energy: -71.862
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -55.185
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: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -550.931186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.931186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.931186 (E_RNA)
where:
Base-Base interactions energy: -284.027
where: short stacking energy: -164.322
Base-Backbone interact. energy: -0.824
local terms energy: -266.080744
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -68.249
flat angles C4'-P-C4' energy: -68.815
flat angles P-C4'-P energy: -42.028
tors. eta vs tors. theta energy: -18.718
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: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -337.988393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.988393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.988393 (E_RNA)
where:
Base-Base interactions energy: -124.154
where: short stacking energy: -93.557
Base-Backbone interact. energy: -2.273
local terms energy: -211.560539
where:
bonds (distance) C4'-P energy: -76.583
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -40.050
tors. eta vs tors. theta energy: 7.538
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: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -401.133823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.133823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.133823 (E_RNA)
where:
Base-Base interactions energy: -186.888
where: short stacking energy: -119.792
Base-Backbone interact. energy: -0.489
local terms energy: -213.756969
where:
bonds (distance) C4'-P energy: -66.580
bonds (distance) P-C4' energy: -48.559
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -35.223
tors. eta vs tors. theta energy: -2.157
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: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1391.628719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.628719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.628719 (E_RNA)
where:
Base-Base interactions energy: -959.281
where: short stacking energy: -390.175
Base-Backbone interact. energy: -0.408
local terms energy: -431.940120
where:
bonds (distance) C4'-P energy: -84.720
bonds (distance) P-C4' energy: -86.031
flat angles C4'-P-C4' energy: -84.792
flat angles P-C4'-P energy: -63.562
tors. eta vs tors. theta energy: -112.836
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: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1341.776635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.776635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.776635 (E_RNA)
where:
Base-Base interactions energy: -913.745
where: short stacking energy: -387.024
Base-Backbone interact. energy: 0.866
local terms energy: -428.897481
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -84.224
flat angles C4'-P-C4' energy: -85.266
flat angles P-C4'-P energy: -61.317
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: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1285.809361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.809361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.809361 (E_RNA)
where:
Base-Base interactions energy: -867.664
where: short stacking energy: -341.204
Base-Backbone interact. energy: -2.655
local terms energy: -415.490550
where:
bonds (distance) C4'-P energy: -86.285
bonds (distance) P-C4' energy: -85.367
flat angles C4'-P-C4' energy: -87.135
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -108.447
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: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1183.900757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.900757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.900757 (E_RNA)
where:
Base-Base interactions energy: -793.902
where: short stacking energy: -337.902
Base-Backbone interact. energy: -0.734
local terms energy: -389.264938
where:
bonds (distance) C4'-P energy: -78.605
bonds (distance) P-C4' energy: -69.898
flat angles C4'-P-C4' energy: -80.203
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -106.800
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: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1030.062644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.062644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.062644 (E_RNA)
where:
Base-Base interactions energy: -687.608
where: short stacking energy: -283.282
Base-Backbone interact. energy: -1.976
local terms energy: -340.479119
where:
bonds (distance) C4'-P energy: -67.682
bonds (distance) P-C4' energy: -76.152
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -51.503
tors. eta vs tors. theta energy: -67.256
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: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -924.408181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.408181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.408181 (E_RNA)
where:
Base-Base interactions energy: -591.666
where: short stacking energy: -268.370
Base-Backbone interact. energy: -2.465
local terms energy: -330.277388
where:
bonds (distance) C4'-P energy: -69.469
bonds (distance) P-C4' energy: -74.701
flat angles C4'-P-C4' energy: -66.454
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -74.528
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: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -834.990327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.990327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.990327 (E_RNA)
where:
Base-Base interactions energy: -535.956
where: short stacking energy: -225.052
Base-Backbone interact. energy: 2.186
local terms energy: -301.220467
where:
bonds (distance) C4'-P energy: -62.837
bonds (distance) P-C4' energy: -62.215
flat angles C4'-P-C4' energy: -75.825
flat angles P-C4'-P energy: -50.731
tors. eta vs tors. theta energy: -49.612
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: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -576.915676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.915676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.915676 (E_RNA)
where:
Base-Base interactions energy: -305.643
where: short stacking energy: -177.706
Base-Backbone interact. energy: -2.328
local terms energy: -268.944919
where:
bonds (distance) C4'-P energy: -73.835
bonds (distance) P-C4' energy: -71.944
flat angles C4'-P-C4' energy: -64.626
flat angles P-C4'-P energy: -28.616
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: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -405.446105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.446105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.446105 (E_RNA)
where:
Base-Base interactions energy: -198.722
where: short stacking energy: -140.897
Base-Backbone interact. energy: 0.146
local terms energy: -206.870041
where:
bonds (distance) C4'-P energy: -61.232
bonds (distance) P-C4' energy: -59.362
flat angles C4'-P-C4' energy: -63.849
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -5.615
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: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -329.996358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.996358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.996358 (E_RNA)
where:
Base-Base interactions energy: -93.846
where: short stacking energy: -82.951
Base-Backbone interact. energy: -1.423
local terms energy: -234.727108
where:
bonds (distance) C4'-P energy: -63.077
bonds (distance) P-C4' energy: -78.764
flat angles C4'-P-C4' energy: -71.412
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: 15.720
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: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1382.081071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.081071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.081071 (E_RNA)
where:
Base-Base interactions energy: -946.214
where: short stacking energy: -382.835
Base-Backbone interact. energy: -0.456
local terms energy: -435.411441
where:
bonds (distance) C4'-P energy: -83.225
bonds (distance) P-C4' energy: -72.800
flat angles C4'-P-C4' energy: -91.170
flat angles P-C4'-P energy: -65.587
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: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1340.575216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.575216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.575216 (E_RNA)
where:
Base-Base interactions energy: -926.986
where: short stacking energy: -395.764
Base-Backbone interact. energy: -0.932
local terms energy: -412.657359
where:
bonds (distance) C4'-P energy: -66.526
bonds (distance) P-C4' energy: -73.641
flat angles C4'-P-C4' energy: -95.504
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -124.928
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1308.176146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.176146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.176146 (E_RNA)
where:
Base-Base interactions energy: -922.277
where: short stacking energy: -389.707
Base-Backbone interact. energy: 1.595
local terms energy: -387.494238
where:
bonds (distance) C4'-P energy: -74.328
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -77.816
flat angles P-C4'-P energy: -62.389
tors. eta vs tors. theta energy: -106.947
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1181.448721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.448721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.448721 (E_RNA)
where:
Base-Base interactions energy: -777.543
where: short stacking energy: -338.517
Base-Backbone interact. energy: 1.673
local terms energy: -405.579185
where:
bonds (distance) C4'-P energy: -83.297
bonds (distance) P-C4' energy: -84.799
flat angles C4'-P-C4' energy: -84.822
flat angles P-C4'-P energy: -53.873
tors. eta vs tors. theta energy: -98.788
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: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1078.167152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.167152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.167152 (E_RNA)
where:
Base-Base interactions energy: -727.654
where: short stacking energy: -294.209
Base-Backbone interact. energy: 1.317
local terms energy: -351.830030
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -77.769
flat angles P-C4'-P energy: -62.180
tors. eta vs tors. theta energy: -80.745
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: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -979.369699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.369699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.369699 (E_RNA)
where:
Base-Base interactions energy: -649.313
where: short stacking energy: -317.861
Base-Backbone interact. energy: 0.006
local terms energy: -330.063103
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -60.149
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -45.448
tors. eta vs tors. theta energy: -84.171
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: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -785.963114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.963114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.963114 (E_RNA)
where:
Base-Base interactions energy: -483.805
where: short stacking energy: -225.285
Base-Backbone interact. energy: -3.356
local terms energy: -298.802178
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -74.707
flat angles C4'-P-C4' energy: -69.331
flat angles P-C4'-P energy: -34.086
tors. eta vs tors. theta energy: -45.306
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: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -575.041070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.041070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.041070 (E_RNA)
where:
Base-Base interactions energy: -298.621
where: short stacking energy: -154.012
Base-Backbone interact. energy: 0.542
local terms energy: -276.962428
where:
bonds (distance) C4'-P energy: -78.355
bonds (distance) P-C4' energy: -69.683
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -45.073
tors. eta vs tors. theta energy: -23.508
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: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -414.873054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.873054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.873054 (E_RNA)
where:
Base-Base interactions energy: -198.993
where: short stacking energy: -104.238
Base-Backbone interact. energy: -4.761
local terms energy: -211.118732
where:
bonds (distance) C4'-P energy: -67.913
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -66.672
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: 14.128
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: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -321.101347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.101347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.101347 (E_RNA)
where:
Base-Base interactions energy: -109.820
where: short stacking energy: -76.612
Base-Backbone interact. energy: -1.676
local terms energy: -209.605354
where:
bonds (distance) C4'-P energy: -61.921
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -51.915
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: 13.510
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: 278
Temperature: 0.900000
Total energy: -1395.808607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.808607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.808607 (E_RNA)
where:
Base-Base interactions energy: -964.555
where: short stacking energy: -373.937
Base-Backbone interact. energy: -0.744
local terms energy: -430.509832
where:
bonds (distance) C4'-P energy: -80.959
bonds (distance) P-C4' energy: -83.490
flat angles C4'-P-C4' energy: -89.646
flat angles P-C4'-P energy: -60.378
tors. eta vs tors. theta energy: -116.036
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: 278
Temperature: 0.950000
Total energy: -1345.815118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.815118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.815118 (E_RNA)
where:
Base-Base interactions energy: -915.249
where: short stacking energy: -375.717
Base-Backbone interact. energy: -2.506
local terms energy: -428.060027
where:
bonds (distance) C4'-P energy: -70.582
bonds (distance) P-C4' energy: -80.020
flat angles C4'-P-C4' energy: -94.805
flat angles P-C4'-P energy: -49.411
tors. eta vs tors. theta energy: -133.242
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: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1306.667015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.667015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.667015 (E_RNA)
where:
Base-Base interactions energy: -908.247
where: short stacking energy: -374.747
Base-Backbone interact. energy: -0.121
local terms energy: -398.298290
where:
bonds (distance) C4'-P energy: -60.370
bonds (distance) P-C4' energy: -81.958
flat angles C4'-P-C4' energy: -87.740
flat angles P-C4'-P energy: -56.157
tors. eta vs tors. theta energy: -112.073
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: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1177.463358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.463358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.463358 (E_RNA)
where:
Base-Base interactions energy: -797.346
where: short stacking energy: -343.384
Base-Backbone interact. energy: -2.222
local terms energy: -377.896231
where:
bonds (distance) C4'-P energy: -74.032
bonds (distance) P-C4' energy: -68.851
flat angles C4'-P-C4' energy: -89.043
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -93.628
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: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1076.375468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.375468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.375468 (E_RNA)
where:
Base-Base interactions energy: -713.320
where: short stacking energy: -278.933
Base-Backbone interact. energy: -0.220
local terms energy: -362.836328
where:
bonds (distance) C4'-P energy: -75.278
bonds (distance) P-C4' energy: -84.090
flat angles C4'-P-C4' energy: -81.020
flat angles P-C4'-P energy: -44.967
tors. eta vs tors. theta energy: -77.481
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: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -917.292742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.292742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.292742 (E_RNA)
where:
Base-Base interactions energy: -580.701
where: short stacking energy: -261.802
Base-Backbone interact. energy: -2.330
local terms energy: -334.261926
where:
bonds (distance) C4'-P energy: -77.464
bonds (distance) P-C4' energy: -75.260
flat angles C4'-P-C4' energy: -66.536
flat angles P-C4'-P energy: -51.956
tors. eta vs tors. theta energy: -63.046
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: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -836.557266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.557266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.557266 (E_RNA)
where:
Base-Base interactions energy: -510.164
where: short stacking energy: -247.560
Base-Backbone interact. energy: -0.684
local terms energy: -325.709639
where:
bonds (distance) C4'-P energy: -71.828
bonds (distance) P-C4' energy: -76.991
flat angles C4'-P-C4' energy: -76.146
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -59.745
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: 278
Temperature: 1.250000
Total energy: -585.438158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.438158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.438158 (E_RNA)
where:
Base-Base interactions energy: -309.109
where: short stacking energy: -167.655
Base-Backbone interact. energy: -0.731
local terms energy: -275.598238
where:
bonds (distance) C4'-P energy: -71.296
bonds (distance) P-C4' energy: -75.310
flat angles C4'-P-C4' energy: -65.813
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: -28.739
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: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -423.576697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.576697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.576697 (E_RNA)
where:
Base-Base interactions energy: -167.045
where: short stacking energy: -87.870
Base-Backbone interact. energy: -0.726
local terms energy: -255.805419
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -75.051
flat angles C4'-P-C4' energy: -73.728
flat angles P-C4'-P energy: -45.139
tors. eta vs tors. theta energy: 18.020
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: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -326.672559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.672559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.672559 (E_RNA)
where:
Base-Base interactions energy: -132.853
where: short stacking energy: -75.681
Base-Backbone interact. energy: -1.312
local terms energy: -192.507672
where:
bonds (distance) C4'-P energy: -59.107
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: 16.129
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: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1399.692456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.692456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.692456 (E_RNA)
where:
Base-Base interactions energy: -961.052
where: short stacking energy: -386.778
Base-Backbone interact. energy: -0.930
local terms energy: -437.710703
where:
bonds (distance) C4'-P energy: -81.723
bonds (distance) P-C4' energy: -77.913
flat angles C4'-P-C4' energy: -97.694
flat angles P-C4'-P energy: -62.786
tors. eta vs tors. theta energy: -117.594
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: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1323.833317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.833317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.833317 (E_RNA)
where:
Base-Base interactions energy: -906.100
where: short stacking energy: -367.547
Base-Backbone interact. energy: -1.230
local terms energy: -416.502884
where:
bonds (distance) C4'-P energy: -80.575
bonds (distance) P-C4' energy: -80.977
flat angles C4'-P-C4' energy: -84.411
flat angles P-C4'-P energy: -59.564
tors. eta vs tors. theta energy: -110.976
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: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1271.227725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.227725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.227725 (E_RNA)
where:
Base-Base interactions energy: -858.965
where: short stacking energy: -351.777
Base-Backbone interact. energy: -2.074
local terms energy: -410.188526
where:
bonds (distance) C4'-P energy: -76.651
bonds (distance) P-C4' energy: -76.042
flat angles C4'-P-C4' energy: -85.682
flat angles P-C4'-P energy: -64.880
tors. eta vs tors. theta energy: -106.934
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1185.708337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.708337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.708337 (E_RNA)
where:
Base-Base interactions energy: -797.963
where: short stacking energy: -337.892
Base-Backbone interact. energy: -0.326
local terms energy: -387.419524
where:
bonds (distance) C4'-P energy: -66.282
bonds (distance) P-C4' energy: -80.142
flat angles C4'-P-C4' energy: -79.934
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: -106.343
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: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1099.391407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.391407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.391407 (E_RNA)
where:
Base-Base interactions energy: -740.114
where: short stacking energy: -312.545
Base-Backbone interact. energy: -1.363
local terms energy: -357.914183
where:
bonds (distance) C4'-P energy: -74.580
bonds (distance) P-C4' energy: -69.247
flat angles C4'-P-C4' energy: -79.555
flat angles P-C4'-P energy: -49.905
tors. eta vs tors. theta energy: -84.628
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -919.527673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.527673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.527673 (E_RNA)
where:
Base-Base interactions energy: -598.576
where: short stacking energy: -264.393
Base-Backbone interact. energy: -0.675
local terms energy: -320.277281
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -70.400
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -74.517
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: 279
Temperature: 1.200000
Total energy: -821.067327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.067327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.067327 (E_RNA)
where:
Base-Base interactions energy: -500.244
where: short stacking energy: -227.842
Base-Backbone interact. energy: -3.440
local terms energy: -317.382794
where:
bonds (distance) C4'-P energy: -74.559
bonds (distance) P-C4' energy: -70.680
flat angles C4'-P-C4' energy: -74.812
flat angles P-C4'-P energy: -39.210
tors. eta vs tors. theta energy: -58.122
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: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -579.573376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.573376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.573376 (E_RNA)
where:
Base-Base interactions energy: -326.903
where: short stacking energy: -155.664
Base-Backbone interact. energy: 1.605
local terms energy: -254.275665
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -61.142
flat angles P-C4'-P energy: -50.839
tors. eta vs tors. theta energy: -18.289
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -438.512294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.512294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.512294 (E_RNA)
where:
Base-Base interactions energy: -218.871
where: short stacking energy: -118.332
Base-Backbone interact. energy: -2.784
local terms energy: -216.857454
where:
bonds (distance) C4'-P energy: -52.728
bonds (distance) P-C4' energy: -65.834
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -4.153
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -333.670557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.670557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.670557 (E_RNA)
where:
Base-Base interactions energy: -120.373
where: short stacking energy: -106.533
Base-Backbone interact. energy: 0.545
local terms energy: -213.842332
where:
bonds (distance) C4'-P energy: -65.998
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -39.159
tors. eta vs tors. theta energy: 10.794
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: 280
Temperature: 0.900000
Total energy: -1400.417418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.417418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.417418 (E_RNA)
where:
Base-Base interactions energy: -967.171
where: short stacking energy: -401.248
Base-Backbone interact. energy: -1.465
local terms energy: -431.780918
where:
bonds (distance) C4'-P energy: -76.934
bonds (distance) P-C4' energy: -81.327
flat angles C4'-P-C4' energy: -100.381
flat angles P-C4'-P energy: -57.702
tors. eta vs tors. theta energy: -115.438
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: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1329.594742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.594742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.594742 (E_RNA)
where:
Base-Base interactions energy: -895.122
where: short stacking energy: -371.703
Base-Backbone interact. energy: -0.385
local terms energy: -434.087311
where:
bonds (distance) C4'-P energy: -80.275
bonds (distance) P-C4' energy: -84.658
flat angles C4'-P-C4' energy: -91.333
flat angles P-C4'-P energy: -54.319
tors. eta vs tors. theta energy: -123.502
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: 3, replica: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1274.302981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.302981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.302981 (E_RNA)
where:
Base-Base interactions energy: -873.443
where: short stacking energy: -366.695
Base-Backbone interact. energy: -0.540
local terms energy: -400.319955
where:
bonds (distance) C4'-P energy: -74.394
bonds (distance) P-C4' energy: -83.809
flat angles C4'-P-C4' energy: -84.731
flat angles P-C4'-P energy: -57.545
tors. eta vs tors. theta energy: -99.841
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1185.678191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.678191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.678191 (E_RNA)
where:
Base-Base interactions energy: -793.188
where: short stacking energy: -334.970
Base-Backbone interact. energy: -2.481
local terms energy: -390.009428
where:
bonds (distance) C4'-P energy: -58.352
bonds (distance) P-C4' energy: -78.537
flat angles C4'-P-C4' energy: -92.607
flat angles P-C4'-P energy: -61.435
tors. eta vs tors. theta energy: -99.079
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: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1118.259099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.259099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.259099 (E_RNA)
where:
Base-Base interactions energy: -760.960
where: short stacking energy: -327.822
Base-Backbone interact. energy: 0.168
local terms energy: -357.467301
where:
bonds (distance) C4'-P energy: -69.974
bonds (distance) P-C4' energy: -64.750
flat angles C4'-P-C4' energy: -71.115
flat angles P-C4'-P energy: -52.703
tors. eta vs tors. theta energy: -98.924
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: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -927.907753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.907753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.907753 (E_RNA)
where:
Base-Base interactions energy: -587.737
where: short stacking energy: -261.653
Base-Backbone interact. energy: 3.076
local terms energy: -343.247047
where:
bonds (distance) C4'-P energy: -72.740
bonds (distance) P-C4' energy: -69.353
flat angles C4'-P-C4' energy: -81.334
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -75.498
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: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -828.140233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.140233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.140233 (E_RNA)
where:
Base-Base interactions energy: -519.532
where: short stacking energy: -216.582
Base-Backbone interact. energy: -2.544
local terms energy: -306.063805
where:
bonds (distance) C4'-P energy: -72.398
bonds (distance) P-C4' energy: -72.104
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -61.288
tors. eta vs tors. theta energy: -37.522
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: 280
Temperature: 1.250000
Total energy: -593.887514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.887514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.887514 (E_RNA)
where:
Base-Base interactions energy: -323.342
where: short stacking energy: -155.560
Base-Backbone interact. energy: 2.867
local terms energy: -273.411958
where:
bonds (distance) C4'-P energy: -72.286
bonds (distance) P-C4' energy: -79.789
flat angles C4'-P-C4' energy: -64.244
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -25.886
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: 280
Temperature: 1.300000
Total energy: -432.469211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.469211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.469211 (E_RNA)
where:
Base-Base interactions energy: -197.539
where: short stacking energy: -117.617
Base-Backbone interact. energy: 1.762
local terms energy: -236.692262
where:
bonds (distance) C4'-P energy: -72.057
bonds (distance) P-C4' energy: -79.575
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -6.945
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: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -340.661601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.661601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.661601 (E_RNA)
where:
Base-Base interactions energy: -114.442
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.646
local terms energy: -225.573330
where:
bonds (distance) C4'-P energy: -63.762
bonds (distance) P-C4' energy: -73.315
flat angles C4'-P-C4' energy: -63.712
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: 9.463
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: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1391.110098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.110098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.110098 (E_RNA)
where:
Base-Base interactions energy: -973.175
where: short stacking energy: -386.868
Base-Backbone interact. energy: -2.269
local terms energy: -415.666556
where:
bonds (distance) C4'-P energy: -72.494
bonds (distance) P-C4' energy: -82.643
flat angles C4'-P-C4' energy: -87.590
flat angles P-C4'-P energy: -57.469
tors. eta vs tors. theta energy: -115.471
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: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1328.730925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.730925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.730925 (E_RNA)
where:
Base-Base interactions energy: -903.356
where: short stacking energy: -387.720
Base-Backbone interact. energy: 2.197
local terms energy: -427.571834
where:
bonds (distance) C4'-P energy: -76.911
bonds (distance) P-C4' energy: -78.549
flat angles C4'-P-C4' energy: -90.991
flat angles P-C4'-P energy: -54.792
tors. eta vs tors. theta energy: -126.329
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: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1284.546655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.546655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.546655 (E_RNA)
where:
Base-Base interactions energy: -875.376
where: short stacking energy: -376.889
Base-Backbone interact. energy: -1.891
local terms energy: -407.280308
where:
bonds (distance) C4'-P energy: -73.145
bonds (distance) P-C4' energy: -80.137
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -55.428
tors. eta vs tors. theta energy: -109.532
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: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1214.619843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.619843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.619843 (E_RNA)
where:
Base-Base interactions energy: -819.390
where: short stacking energy: -348.326
Base-Backbone interact. energy: -2.047
local terms energy: -393.182364
where:
bonds (distance) C4'-P energy: -75.726
bonds (distance) P-C4' energy: -69.615
flat angles C4'-P-C4' energy: -85.678
flat angles P-C4'-P energy: -56.234
tors. eta vs tors. theta energy: -105.929
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: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1108.353605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.353605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.353605 (E_RNA)
where:
Base-Base interactions energy: -760.758
where: short stacking energy: -325.074
Base-Backbone interact. energy: -3.574
local terms energy: -344.021590
where:
bonds (distance) C4'-P energy: -76.726
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -77.023
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -88.553
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: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -959.749248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.749248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.749248 (E_RNA)
where:
Base-Base interactions energy: -637.590
where: short stacking energy: -277.186
Base-Backbone interact. energy: -0.573
local terms energy: -321.586706
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -69.597
flat angles C4'-P-C4' energy: -71.158
flat angles P-C4'-P energy: -57.470
tors. eta vs tors. theta energy: -66.754
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -842.158041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.158041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.158041 (E_RNA)
where:
Base-Base interactions energy: -549.091
where: short stacking energy: -246.129
Base-Backbone interact. energy: 1.998
local terms energy: -295.065615
where:
bonds (distance) C4'-P energy: -76.291
bonds (distance) P-C4' energy: -68.600
flat angles C4'-P-C4' energy: -58.489
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -48.649
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: 281
Temperature: 1.250000
Total energy: -592.865701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.865701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.865701 (E_RNA)
where:
Base-Base interactions energy: -319.647
where: short stacking energy: -178.460
Base-Backbone interact. energy: -0.236
local terms energy: -272.982334
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -86.410
flat angles C4'-P-C4' energy: -55.343
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -26.216
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: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -439.083898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.083898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.083898 (E_RNA)
where:
Base-Base interactions energy: -185.367
where: short stacking energy: -118.117
Base-Backbone interact. energy: 0.033
local terms energy: -253.750659
where:
bonds (distance) C4'-P energy: -76.931
bonds (distance) P-C4' energy: -63.336
flat angles C4'-P-C4' energy: -72.595
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -3.144
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: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -319.925333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.925333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.925333 (E_RNA)
where:
Base-Base interactions energy: -105.421
where: short stacking energy: -88.193
Base-Backbone interact. energy: -1.675
local terms energy: -212.828534
where:
bonds (distance) C4'-P energy: -56.938
bonds (distance) P-C4' energy: -80.370
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -34.093
tors. eta vs tors. theta energy: 6.282
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: 282
Temperature: 0.900000
Total energy: -1409.662812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.662812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.662812 (E_RNA)
where:
Base-Base interactions energy: -976.814
where: short stacking energy: -385.820
Base-Backbone interact. energy: 2.438
local terms energy: -435.286490
where:
bonds (distance) C4'-P energy: -79.525
bonds (distance) P-C4' energy: -88.991
flat angles C4'-P-C4' energy: -82.624
flat angles P-C4'-P energy: -65.244
tors. eta vs tors. theta energy: -118.903
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: 282
Temperature: 0.950000
Total energy: -1320.484767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.484767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.484767 (E_RNA)
where:
Base-Base interactions energy: -895.819
where: short stacking energy: -389.678
Base-Backbone interact. energy: -3.013
local terms energy: -421.653415
where:
bonds (distance) C4'-P energy: -65.191
bonds (distance) P-C4' energy: -88.537
flat angles C4'-P-C4' energy: -88.173
flat angles P-C4'-P energy: -61.577
tors. eta vs tors. theta energy: -118.176
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: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1285.150005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.150005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.150005 (E_RNA)
where:
Base-Base interactions energy: -880.214
where: short stacking energy: -359.460
Base-Backbone interact. energy: -0.866
local terms energy: -404.070011
where:
bonds (distance) C4'-P energy: -72.572
bonds (distance) P-C4' energy: -78.650
flat angles C4'-P-C4' energy: -86.073
flat angles P-C4'-P energy: -58.852
tors. eta vs tors. theta energy: -107.923
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: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1176.441091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.441091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.441091 (E_RNA)
where:
Base-Base interactions energy: -805.658
where: short stacking energy: -350.839
Base-Backbone interact. energy: -0.321
local terms energy: -370.462125
where:
bonds (distance) C4'-P energy: -64.474
bonds (distance) P-C4' energy: -80.289
flat angles C4'-P-C4' energy: -81.904
flat angles P-C4'-P energy: -47.350
tors. eta vs tors. theta energy: -96.444
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: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1115.799459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.799459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.799459 (E_RNA)
where:
Base-Base interactions energy: -767.738
where: short stacking energy: -320.440
Base-Backbone interact. energy: -2.279
local terms energy: -345.782588
where:
bonds (distance) C4'-P energy: -66.037
bonds (distance) P-C4' energy: -62.099
flat angles C4'-P-C4' energy: -84.055
flat angles P-C4'-P energy: -46.705
tors. eta vs tors. theta energy: -86.886
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: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -940.383016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.383016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.383016 (E_RNA)
where:
Base-Base interactions energy: -604.151
where: short stacking energy: -272.811
Base-Backbone interact. energy: -1.126
local terms energy: -335.105818
where:
bonds (distance) C4'-P energy: -66.700
bonds (distance) P-C4' energy: -76.391
flat angles C4'-P-C4' energy: -74.034
flat angles P-C4'-P energy: -43.742
tors. eta vs tors. theta energy: -74.239
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: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -857.847073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.847073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.847073 (E_RNA)
where:
Base-Base interactions energy: -587.969
where: short stacking energy: -260.613
Base-Backbone interact. energy: 3.149
local terms energy: -273.027006
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -67.706
flat angles C4'-P-C4' energy: -61.775
flat angles P-C4'-P energy: -40.556
tors. eta vs tors. theta energy: -52.371
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -569.107755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.107755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.107755 (E_RNA)
where:
Base-Base interactions energy: -308.032
where: short stacking energy: -183.953
Base-Backbone interact. energy: 2.837
local terms energy: -263.913354
where:
bonds (distance) C4'-P energy: -63.823
bonds (distance) P-C4' energy: -70.652
flat angles C4'-P-C4' energy: -52.396
flat angles P-C4'-P energy: -49.613
tors. eta vs tors. theta energy: -27.429
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: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -419.692419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.692419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.692419 (E_RNA)
where:
Base-Base interactions energy: -215.343
where: short stacking energy: -122.667
Base-Backbone interact. energy: 3.660
local terms energy: -208.008938
where:
bonds (distance) C4'-P energy: -66.713
bonds (distance) P-C4' energy: -72.786
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: 7.786
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: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -312.842782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.842782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.842782 (E_RNA)
where:
Base-Base interactions energy: -101.181
where: short stacking energy: -76.643
Base-Backbone interact. energy: 0.929
local terms energy: -212.590201
where:
bonds (distance) C4'-P energy: -68.748
bonds (distance) P-C4' energy: -74.084
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: 7.364
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: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1403.287444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.287444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.287444 (E_RNA)
where:
Base-Base interactions energy: -972.846
where: short stacking energy: -384.910
Base-Backbone interact. energy: -1.401
local terms energy: -429.040514
where:
bonds (distance) C4'-P energy: -72.591
bonds (distance) P-C4' energy: -85.101
flat angles C4'-P-C4' energy: -91.786
flat angles P-C4'-P energy: -63.874
tors. eta vs tors. theta energy: -115.688
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: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1324.744653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.744653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.744653 (E_RNA)
where:
Base-Base interactions energy: -921.394
where: short stacking energy: -368.647
Base-Backbone interact. energy: -2.042
local terms energy: -401.308486
where:
bonds (distance) C4'-P energy: -65.968
bonds (distance) P-C4' energy: -67.116
flat angles C4'-P-C4' energy: -87.956
flat angles P-C4'-P energy: -54.284
tors. eta vs tors. theta energy: -125.986
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: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1282.186450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.186450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.186450 (E_RNA)
where:
Base-Base interactions energy: -891.971
where: short stacking energy: -356.822
Base-Backbone interact. energy: 2.078
local terms energy: -392.293512
where:
bonds (distance) C4'-P energy: -61.506
bonds (distance) P-C4' energy: -73.887
flat angles C4'-P-C4' energy: -87.226
flat angles P-C4'-P energy: -65.611
tors. eta vs tors. theta energy: -104.064
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: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1173.002970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.002970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.002970 (E_RNA)
where:
Base-Base interactions energy: -794.321
where: short stacking energy: -330.679
Base-Backbone interact. energy: -0.347
local terms energy: -378.334768
where:
bonds (distance) C4'-P energy: -64.718
bonds (distance) P-C4' energy: -85.697
flat angles C4'-P-C4' energy: -80.877
flat angles P-C4'-P energy: -49.049
tors. eta vs tors. theta energy: -97.994
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: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1122.019938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.019938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.019938 (E_RNA)
where:
Base-Base interactions energy: -787.546
where: short stacking energy: -318.482
Base-Backbone interact. energy: -1.414
local terms energy: -333.060100
where:
bonds (distance) C4'-P energy: -58.734
bonds (distance) P-C4' energy: -70.588
flat angles C4'-P-C4' energy: -63.493
flat angles P-C4'-P energy: -53.550
tors. eta vs tors. theta energy: -86.695
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: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -991.702820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.702820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.702820 (E_RNA)
where:
Base-Base interactions energy: -627.705
where: short stacking energy: -284.599
Base-Backbone interact. energy: -1.226
local terms energy: -362.772107
where:
bonds (distance) C4'-P energy: -73.549
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -72.315
flat angles P-C4'-P energy: -63.407
tors. eta vs tors. theta energy: -81.964
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: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -836.866473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.866473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.866473 (E_RNA)
where:
Base-Base interactions energy: -525.720
where: short stacking energy: -228.887
Base-Backbone interact. energy: -0.813
local terms energy: -310.332732
where:
bonds (distance) C4'-P energy: -76.934
bonds (distance) P-C4' energy: -74.110
flat angles C4'-P-C4' energy: -71.309
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -53.614
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: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -553.867062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.867062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.867062 (E_RNA)
where:
Base-Base interactions energy: -295.377
where: short stacking energy: -163.778
Base-Backbone interact. energy: 0.132
local terms energy: -258.621558
where:
bonds (distance) C4'-P energy: -60.092
bonds (distance) P-C4' energy: -60.209
flat angles C4'-P-C4' energy: -64.633
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -28.992
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: 283
Temperature: 1.300000
Total energy: -460.747810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.747810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.747810 (E_RNA)
where:
Base-Base interactions energy: -230.204
where: short stacking energy: -122.818
Base-Backbone interact. energy: -0.094
local terms energy: -230.449117
where:
bonds (distance) C4'-P energy: -61.148
bonds (distance) P-C4' energy: -63.626
flat angles C4'-P-C4' energy: -74.378
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: 7.105
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: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -324.488828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.488828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.488828 (E_RNA)
where:
Base-Base interactions energy: -120.385
where: short stacking energy: -89.769
Base-Backbone interact. energy: 2.680
local terms energy: -206.783767
where:
bonds (distance) C4'-P energy: -57.964
bonds (distance) P-C4' energy: -73.185
flat angles C4'-P-C4' energy: -50.009
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: 1.843
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: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1402.915860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.915860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.915860 (E_RNA)
where:
Base-Base interactions energy: -995.235
where: short stacking energy: -377.865
Base-Backbone interact. energy: -3.574
local terms energy: -404.107588
where:
bonds (distance) C4'-P energy: -68.478
bonds (distance) P-C4' energy: -81.575
flat angles C4'-P-C4' energy: -81.122
flat angles P-C4'-P energy: -59.844
tors. eta vs tors. theta energy: -113.089
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: 284
Temperature: 0.950000
Total energy: -1333.004972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.004972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.004972 (E_RNA)
where:
Base-Base interactions energy: -913.791
where: short stacking energy: -376.241
Base-Backbone interact. energy: -1.072
local terms energy: -418.142028
where:
bonds (distance) C4'-P energy: -80.015
bonds (distance) P-C4' energy: -67.355
flat angles C4'-P-C4' energy: -82.410
flat angles P-C4'-P energy: -63.750
tors. eta vs tors. theta energy: -124.612
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: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1296.617953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.617953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.617953 (E_RNA)
where:
Base-Base interactions energy: -875.442
where: short stacking energy: -363.250
Base-Backbone interact. energy: -3.757
local terms energy: -417.418633
where:
bonds (distance) C4'-P energy: -77.095
bonds (distance) P-C4' energy: -79.395
flat angles C4'-P-C4' energy: -82.167
flat angles P-C4'-P energy: -63.866
tors. eta vs tors. theta energy: -114.895
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: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1180.842606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.842606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.842606 (E_RNA)
where:
Base-Base interactions energy: -784.359
where: short stacking energy: -320.796
Base-Backbone interact. energy: -0.294
local terms energy: -396.190300
where:
bonds (distance) C4'-P energy: -81.945
bonds (distance) P-C4' energy: -78.075
flat angles C4'-P-C4' energy: -85.438
flat angles P-C4'-P energy: -61.217
tors. eta vs tors. theta energy: -89.515
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: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1116.710413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.710413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.710413 (E_RNA)
where:
Base-Base interactions energy: -756.510
where: short stacking energy: -318.557
Base-Backbone interact. energy: -2.303
local terms energy: -357.898002
where:
bonds (distance) C4'-P energy: -68.266
bonds (distance) P-C4' energy: -68.974
flat angles C4'-P-C4' energy: -82.235
flat angles P-C4'-P energy: -48.712
tors. eta vs tors. theta energy: -89.710
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: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1005.086425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.086425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.086425 (E_RNA)
where:
Base-Base interactions energy: -664.907
where: short stacking energy: -301.229
Base-Backbone interact. energy: 1.542
local terms energy: -341.721136
where:
bonds (distance) C4'-P energy: -74.631
bonds (distance) P-C4' energy: -59.550
flat angles C4'-P-C4' energy: -80.180
flat angles P-C4'-P energy: -45.858
tors. eta vs tors. theta energy: -81.502
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: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -779.946757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.946757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.946757 (E_RNA)
where:
Base-Base interactions energy: -477.724
where: short stacking energy: -216.416
Base-Backbone interact. energy: -1.858
local terms energy: -300.364274
where:
bonds (distance) C4'-P energy: -68.066
bonds (distance) P-C4' energy: -63.975
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -50.853
tors. eta vs tors. theta energy: -47.920
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: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -546.980843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.980843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.980843 (E_RNA)
where:
Base-Base interactions energy: -284.110
where: short stacking energy: -160.244
Base-Backbone interact. energy: 0.066
local terms energy: -262.936497
where:
bonds (distance) C4'-P energy: -67.096
bonds (distance) P-C4' energy: -78.946
flat angles C4'-P-C4' energy: -60.458
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -21.155
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: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -420.556667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.556667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.556667 (E_RNA)
where:
Base-Base interactions energy: -206.695
where: short stacking energy: -120.559
Base-Backbone interact. energy: 3.862
local terms energy: -217.723352
where:
bonds (distance) C4'-P energy: -69.048
bonds (distance) P-C4' energy: -64.088
flat angles C4'-P-C4' energy: -44.838
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: 1.818
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: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -323.217087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.217087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.217087 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -75.170
Base-Backbone interact. energy: 0.654
local terms energy: -209.569525
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -64.642
flat angles C4'-P-C4' energy: -57.218
flat angles P-C4'-P energy: -51.859
tors. eta vs tors. theta energy: 21.670
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1406.850468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.850468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.850468 (E_RNA)
where:
Base-Base interactions energy: -989.622
where: short stacking energy: -406.388
Base-Backbone interact. energy: -2.641
local terms energy: -414.587151
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -72.057
flat angles C4'-P-C4' energy: -90.869
flat angles P-C4'-P energy: -57.963
tors. eta vs tors. theta energy: -114.104
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: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1363.795905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.795905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.795905 (E_RNA)
where:
Base-Base interactions energy: -949.078
where: short stacking energy: -386.960
Base-Backbone interact. energy: -0.588
local terms energy: -414.129672
where:
bonds (distance) C4'-P energy: -63.158
bonds (distance) P-C4' energy: -84.951
flat angles C4'-P-C4' energy: -80.658
flat angles P-C4'-P energy: -59.855
tors. eta vs tors. theta energy: -125.508
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: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1288.016547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.016547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.016547 (E_RNA)
where:
Base-Base interactions energy: -867.551
where: short stacking energy: -359.956
Base-Backbone interact. energy: -2.705
local terms energy: -417.760402
where:
bonds (distance) C4'-P energy: -76.118
bonds (distance) P-C4' energy: -77.556
flat angles C4'-P-C4' energy: -84.973
flat angles P-C4'-P energy: -65.573
tors. eta vs tors. theta energy: -113.540
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: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1173.678058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.678058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.678058 (E_RNA)
where:
Base-Base interactions energy: -791.130
where: short stacking energy: -334.092
Base-Backbone interact. energy: -0.526
local terms energy: -382.021238
where:
bonds (distance) C4'-P energy: -72.148
bonds (distance) P-C4' energy: -68.341
flat angles C4'-P-C4' energy: -79.527
flat angles P-C4'-P energy: -63.219
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1067.412464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.412464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.412464 (E_RNA)
where:
Base-Base interactions energy: -702.453
where: short stacking energy: -302.783
Base-Backbone interact. energy: -0.263
local terms energy: -364.697291
where:
bonds (distance) C4'-P energy: -80.042
bonds (distance) P-C4' energy: -75.478
flat angles C4'-P-C4' energy: -78.620
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -87.461
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: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1007.334158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.334158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.334158 (E_RNA)
where:
Base-Base interactions energy: -640.199
where: short stacking energy: -275.828
Base-Backbone interact. energy: -1.130
local terms energy: -366.004160
where:
bonds (distance) C4'-P energy: -67.553
bonds (distance) P-C4' energy: -77.157
flat angles C4'-P-C4' energy: -83.900
flat angles P-C4'-P energy: -58.125
tors. eta vs tors. theta energy: -79.270
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: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -772.381045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.381045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.381045 (E_RNA)
where:
Base-Base interactions energy: -485.240
where: short stacking energy: -188.199
Base-Backbone interact. energy: -2.961
local terms energy: -284.179948
where:
bonds (distance) C4'-P energy: -70.936
bonds (distance) P-C4' energy: -67.402
flat angles C4'-P-C4' energy: -76.092
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -29.618
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: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -536.594644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.594644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.594644 (E_RNA)
where:
Base-Base interactions energy: -280.778
where: short stacking energy: -153.436
Base-Backbone interact. energy: 1.435
local terms energy: -257.251381
where:
bonds (distance) C4'-P energy: -58.284
bonds (distance) P-C4' energy: -84.935
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -32.290
tors. eta vs tors. theta energy: -15.484
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: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -444.572295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.572295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.572295 (E_RNA)
where:
Base-Base interactions energy: -226.068
where: short stacking energy: -126.391
Base-Backbone interact. energy: -2.538
local terms energy: -215.966281
where:
bonds (distance) C4'-P energy: -57.881
bonds (distance) P-C4' energy: -61.042
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -33.353
tors. eta vs tors. theta energy: -6.062
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: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -320.380368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.380368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.380368 (E_RNA)
where:
Base-Base interactions energy: -132.955
where: short stacking energy: -98.870
Base-Backbone interact. energy: -0.608
local terms energy: -186.818149
where:
bonds (distance) C4'-P energy: -64.657
bonds (distance) P-C4' energy: -63.662
flat angles C4'-P-C4' energy: -48.226
flat angles P-C4'-P energy: -32.012
tors. eta vs tors. theta energy: 21.739
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: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1380.718344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.718344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.718344 (E_RNA)
where:
Base-Base interactions energy: -941.247
where: short stacking energy: -396.693
Base-Backbone interact. energy: -1.818
local terms energy: -437.652556
where:
bonds (distance) C4'-P energy: -82.981
bonds (distance) P-C4' energy: -84.386
flat angles C4'-P-C4' energy: -90.952
flat angles P-C4'-P energy: -55.576
tors. eta vs tors. theta energy: -123.758
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: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1343.580666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.580666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.580666 (E_RNA)
where:
Base-Base interactions energy: -939.584
where: short stacking energy: -381.468
Base-Backbone interact. energy: -2.929
local terms energy: -401.067599
where:
bonds (distance) C4'-P energy: -67.132
bonds (distance) P-C4' energy: -80.969
flat angles C4'-P-C4' energy: -86.421
flat angles P-C4'-P energy: -55.129
tors. eta vs tors. theta energy: -111.417
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: 286
Temperature: 1.000000
Total energy: -1297.022426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.022426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.022426 (E_RNA)
where:
Base-Base interactions energy: -886.309
where: short stacking energy: -378.973
Base-Backbone interact. energy: -4.878
local terms energy: -405.834900
where:
bonds (distance) C4'-P energy: -67.155
bonds (distance) P-C4' energy: -69.796
flat angles C4'-P-C4' energy: -86.273
flat angles P-C4'-P energy: -59.013
tors. eta vs tors. theta energy: -123.598
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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1159.918503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.918503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.918503 (E_RNA)
where:
Base-Base interactions energy: -778.906
where: short stacking energy: -336.523
Base-Backbone interact. energy: -1.169
local terms energy: -379.843032
where:
bonds (distance) C4'-P energy: -67.932
bonds (distance) P-C4' energy: -75.251
flat angles C4'-P-C4' energy: -82.506
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -100.238
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: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1053.555032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.555032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.555032 (E_RNA)
where:
Base-Base interactions energy: -708.996
where: short stacking energy: -284.663
Base-Backbone interact. energy: -1.411
local terms energy: -343.148307
where:
bonds (distance) C4'-P energy: -71.460
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -81.898
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -84.055
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: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -960.346449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.346449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.346449 (E_RNA)
where:
Base-Base interactions energy: -615.791
where: short stacking energy: -262.856
Base-Backbone interact. energy: -0.119
local terms energy: -344.436706
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -69.359
flat angles C4'-P-C4' energy: -81.018
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -74.327
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: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -771.135747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.135747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.135747 (E_RNA)
where:
Base-Base interactions energy: -496.897
where: short stacking energy: -221.857
Base-Backbone interact. energy: -0.334
local terms energy: -273.904219
where:
bonds (distance) C4'-P energy: -62.854
bonds (distance) P-C4' energy: -59.173
flat angles C4'-P-C4' energy: -61.590
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -48.702
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: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -562.417311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.417311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.417311 (E_RNA)
where:
Base-Base interactions energy: -300.194
where: short stacking energy: -176.800
Base-Backbone interact. energy: 0.335
local terms energy: -262.557920
where:
bonds (distance) C4'-P energy: -71.639
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -73.905
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -21.380
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: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -481.051266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.051266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.051266 (E_RNA)
where:
Base-Base interactions energy: -245.913
where: short stacking energy: -123.317
Base-Backbone interact. energy: 4.698
local terms energy: -239.836117
where:
bonds (distance) C4'-P energy: -62.908
bonds (distance) P-C4' energy: -74.792
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -33.654
tors. eta vs tors. theta energy: -2.621
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: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -310.903928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.903928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.903928 (E_RNA)
where:
Base-Base interactions energy: -101.330
where: short stacking energy: -69.611
Base-Backbone interact. energy: -0.397
local terms energy: -209.177041
where:
bonds (distance) C4'-P energy: -69.272
bonds (distance) P-C4' energy: -72.052
flat angles C4'-P-C4' energy: -59.769
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: 13.538
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: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1355.207403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.207403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.207403 (E_RNA)
where:
Base-Base interactions energy: -945.101
where: short stacking energy: -377.344
Base-Backbone interact. energy: -1.739
local terms energy: -408.367548
where:
bonds (distance) C4'-P energy: -78.790
bonds (distance) P-C4' energy: -82.795
flat angles C4'-P-C4' energy: -80.190
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -114.681
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1339.880350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.880350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.880350 (E_RNA)
where:
Base-Base interactions energy: -924.646
where: short stacking energy: -380.955
Base-Backbone interact. energy: -2.594
local terms energy: -412.640358
where:
bonds (distance) C4'-P energy: -71.832
bonds (distance) P-C4' energy: -80.261
flat angles C4'-P-C4' energy: -86.158
flat angles P-C4'-P energy: -60.653
tors. eta vs tors. theta energy: -113.736
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1279.666254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.666254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.666254 (E_RNA)
where:
Base-Base interactions energy: -877.451
where: short stacking energy: -375.499
Base-Backbone interact. energy: -1.440
local terms energy: -400.775664
where:
bonds (distance) C4'-P energy: -78.431
bonds (distance) P-C4' energy: -72.965
flat angles C4'-P-C4' energy: -86.491
flat angles P-C4'-P energy: -58.246
tors. eta vs tors. theta energy: -104.643
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: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1174.489461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.489461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.489461 (E_RNA)
where:
Base-Base interactions energy: -761.440
where: short stacking energy: -323.692
Base-Backbone interact. energy: -2.015
local terms energy: -411.033555
where:
bonds (distance) C4'-P energy: -76.059
bonds (distance) P-C4' energy: -84.645
flat angles C4'-P-C4' energy: -87.904
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: -106.961
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: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1101.675018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.675018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.675018 (E_RNA)
where:
Base-Base interactions energy: -722.162
where: short stacking energy: -329.128
Base-Backbone interact. energy: 0.505
local terms energy: -380.017971
where:
bonds (distance) C4'-P energy: -73.129
bonds (distance) P-C4' energy: -77.484
flat angles C4'-P-C4' energy: -79.140
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -92.408
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: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -990.955090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.955090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.955090 (E_RNA)
where:
Base-Base interactions energy: -640.253
where: short stacking energy: -295.679
Base-Backbone interact. energy: -2.268
local terms energy: -348.433803
where:
bonds (distance) C4'-P energy: -66.846
bonds (distance) P-C4' energy: -79.824
flat angles C4'-P-C4' energy: -77.570
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -83.281
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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -741.121858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.121858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.121858 (E_RNA)
where:
Base-Base interactions energy: -460.837
where: short stacking energy: -199.302
Base-Backbone interact. energy: -1.840
local terms energy: -278.444953
where:
bonds (distance) C4'-P energy: -73.991
bonds (distance) P-C4' energy: -64.973
flat angles C4'-P-C4' energy: -64.609
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: -33.966
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: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -590.845900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.845900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.845900 (E_RNA)
where:
Base-Base interactions energy: -326.711
where: short stacking energy: -173.873
Base-Backbone interact. energy: -0.909
local terms energy: -263.226167
where:
bonds (distance) C4'-P energy: -66.988
bonds (distance) P-C4' energy: -81.110
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -16.995
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: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -426.948295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.948295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.948295 (E_RNA)
where:
Base-Base interactions energy: -201.092
where: short stacking energy: -112.233
Base-Backbone interact. energy: -0.549
local terms energy: -225.307174
where:
bonds (distance) C4'-P energy: -63.185
bonds (distance) P-C4' energy: -70.043
flat angles C4'-P-C4' energy: -61.560
flat angles P-C4'-P energy: -30.625
tors. eta vs tors. theta energy: 0.105
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: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -330.119377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.119377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.119377 (E_RNA)
where:
Base-Base interactions energy: -118.907
where: short stacking energy: -113.417
Base-Backbone interact. energy: -0.260
local terms energy: -210.952120
where:
bonds (distance) C4'-P energy: -54.432
bonds (distance) P-C4' energy: -59.114
flat angles C4'-P-C4' energy: -68.552
flat angles P-C4'-P energy: -35.573
tors. eta vs tors. theta energy: 6.718
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: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1376.419089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.419089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.419089 (E_RNA)
where:
Base-Base interactions energy: -948.849
where: short stacking energy: -411.557
Base-Backbone interact. energy: 0.153
local terms energy: -427.723393
where:
bonds (distance) C4'-P energy: -78.831
bonds (distance) P-C4' energy: -73.717
flat angles C4'-P-C4' energy: -87.112
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -122.337
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: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1346.427178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.427178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.427178 (E_RNA)
where:
Base-Base interactions energy: -942.820
where: short stacking energy: -373.174
Base-Backbone interact. energy: -1.472
local terms energy: -402.135377
where:
bonds (distance) C4'-P energy: -69.082
bonds (distance) P-C4' energy: -75.742
flat angles C4'-P-C4' energy: -91.100
flat angles P-C4'-P energy: -56.746
tors. eta vs tors. theta energy: -109.466
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: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1275.722540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.722540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.722540 (E_RNA)
where:
Base-Base interactions energy: -861.087
where: short stacking energy: -361.169
Base-Backbone interact. energy: -0.830
local terms energy: -413.804784
where:
bonds (distance) C4'-P energy: -84.527
bonds (distance) P-C4' energy: -69.471
flat angles C4'-P-C4' energy: -88.848
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -110.815
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: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1154.652030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.652030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.652030 (E_RNA)
where:
Base-Base interactions energy: -783.076
where: short stacking energy: -332.164
Base-Backbone interact. energy: -1.941
local terms energy: -369.634178
where:
bonds (distance) C4'-P energy: -69.007
bonds (distance) P-C4' energy: -76.389
flat angles C4'-P-C4' energy: -80.959
flat angles P-C4'-P energy: -52.594
tors. eta vs tors. theta energy: -90.686
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: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1065.937584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.937584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.937584 (E_RNA)
where:
Base-Base interactions energy: -705.476
where: short stacking energy: -305.943
Base-Backbone interact. energy: -1.478
local terms energy: -358.984013
where:
bonds (distance) C4'-P energy: -72.672
bonds (distance) P-C4' energy: -70.069
flat angles C4'-P-C4' energy: -79.154
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -86.259
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: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1031.300161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.300161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.300161 (E_RNA)
where:
Base-Base interactions energy: -663.789
where: short stacking energy: -305.466
Base-Backbone interact. energy: -1.383
local terms energy: -366.127810
where:
bonds (distance) C4'-P energy: -69.411
bonds (distance) P-C4' energy: -76.512
flat angles C4'-P-C4' energy: -74.235
flat angles P-C4'-P energy: -47.184
tors. eta vs tors. theta energy: -98.786
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: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -748.303846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.303846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.303846 (E_RNA)
where:
Base-Base interactions energy: -473.506
where: short stacking energy: -203.145
Base-Backbone interact. energy: -1.535
local terms energy: -273.263092
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -61.222
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -39.692
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -636.700276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.700276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.700276 (E_RNA)
where:
Base-Base interactions energy: -367.282
where: short stacking energy: -178.635
Base-Backbone interact. energy: -1.981
local terms energy: -267.437878
where:
bonds (distance) C4'-P energy: -73.897
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -59.714
flat angles P-C4'-P energy: -34.758
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: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -440.731481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.731481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.731481 (E_RNA)
where:
Base-Base interactions energy: -239.205
where: short stacking energy: -124.202
Base-Backbone interact. energy: 1.232
local terms energy: -202.758344
where:
bonds (distance) C4'-P energy: -54.875
bonds (distance) P-C4' energy: -68.495
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -27.683
tors. eta vs tors. theta energy: -8.595
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: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -315.595876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.595876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.595876 (E_RNA)
where:
Base-Base interactions energy: -121.635
where: short stacking energy: -100.004
Base-Backbone interact. energy: 5.955
local terms energy: -199.915911
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -66.405
flat angles C4'-P-C4' energy: -55.767
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: 11.587
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: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1365.008260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.008260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.008260 (E_RNA)
where:
Base-Base interactions energy: -924.488
where: short stacking energy: -399.010
Base-Backbone interact. energy: -1.578
local terms energy: -438.942289
where:
bonds (distance) C4'-P energy: -78.823
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -91.147
flat angles P-C4'-P energy: -60.529
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: 289
Temperature: 0.950000
Total energy: -1358.470013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.470013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.470013 (E_RNA)
where:
Base-Base interactions energy: -960.386
where: short stacking energy: -386.082
Base-Backbone interact. energy: 3.758
local terms energy: -401.841461
where:
bonds (distance) C4'-P energy: -70.321
bonds (distance) P-C4' energy: -74.753
flat angles C4'-P-C4' energy: -87.410
flat angles P-C4'-P energy: -56.252
tors. eta vs tors. theta energy: -113.105
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: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1280.957380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.957380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.957380 (E_RNA)
where:
Base-Base interactions energy: -883.104
where: short stacking energy: -363.382
Base-Backbone interact. energy: 0.208
local terms energy: -398.061584
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -79.456
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -59.024
tors. eta vs tors. theta energy: -109.018
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: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1217.881614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.881614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.881614 (E_RNA)
where:
Base-Base interactions energy: -798.422
where: short stacking energy: -349.766
Base-Backbone interact. energy: -3.683
local terms energy: -415.776500
where:
bonds (distance) C4'-P energy: -83.364
bonds (distance) P-C4' energy: -68.603
flat angles C4'-P-C4' energy: -87.254
flat angles P-C4'-P energy: -70.800
tors. eta vs tors. theta energy: -105.756
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: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1084.637348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.637348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.637348 (E_RNA)
where:
Base-Base interactions energy: -729.429
where: short stacking energy: -312.415
Base-Backbone interact. energy: 0.448
local terms energy: -355.656666
where:
bonds (distance) C4'-P energy: -63.396
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -81.750
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -93.888
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: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1002.964417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.964417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.964417 (E_RNA)
where:
Base-Base interactions energy: -646.963
where: short stacking energy: -289.156
Base-Backbone interact. energy: -1.930
local terms energy: -354.071786
where:
bonds (distance) C4'-P energy: -80.111
bonds (distance) P-C4' energy: -76.544
flat angles C4'-P-C4' energy: -75.425
flat angles P-C4'-P energy: -43.423
tors. eta vs tors. theta energy: -78.569
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: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -750.067241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.067241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.067241 (E_RNA)
where:
Base-Base interactions energy: -477.789
where: short stacking energy: -220.811
Base-Backbone interact. energy: 0.597
local terms energy: -272.875170
where:
bonds (distance) C4'-P energy: -66.640
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -64.809
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -49.484
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: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -598.888447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.888447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.888447 (E_RNA)
where:
Base-Base interactions energy: -340.396
where: short stacking energy: -176.795
Base-Backbone interact. energy: -0.867
local terms energy: -257.625203
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -77.838
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -29.145
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: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -420.592650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.592650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.592650 (E_RNA)
where:
Base-Base interactions energy: -200.849
where: short stacking energy: -116.020
Base-Backbone interact. energy: -1.368
local terms energy: -218.375214
where:
bonds (distance) C4'-P energy: -67.766
bonds (distance) P-C4' energy: -66.292
flat angles C4'-P-C4' energy: -46.768
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: 6.376
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: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -310.932715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.932715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.932715 (E_RNA)
where:
Base-Base interactions energy: -122.639
where: short stacking energy: -83.278
Base-Backbone interact. energy: 0.497
local terms energy: -188.789849
where:
bonds (distance) C4'-P energy: -54.887
bonds (distance) P-C4' energy: -61.172
flat angles C4'-P-C4' energy: -52.249
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: 5.324
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: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1375.703825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.703825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.703825 (E_RNA)
where:
Base-Base interactions energy: -961.716
where: short stacking energy: -377.205
Base-Backbone interact. energy: -1.811
local terms energy: -412.176843
where:
bonds (distance) C4'-P energy: -68.381
bonds (distance) P-C4' energy: -87.258
flat angles C4'-P-C4' energy: -91.071
flat angles P-C4'-P energy: -57.150
tors. eta vs tors. theta energy: -108.317
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: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1339.480425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.480425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.480425 (E_RNA)
where:
Base-Base interactions energy: -916.338
where: short stacking energy: -383.582
Base-Backbone interact. energy: -1.046
local terms energy: -422.096206
where:
bonds (distance) C4'-P energy: -73.503
bonds (distance) P-C4' energy: -86.373
flat angles C4'-P-C4' energy: -86.675
flat angles P-C4'-P energy: -53.552
tors. eta vs tors. theta energy: -121.994
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: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1295.645895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.645895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.645895 (E_RNA)
where:
Base-Base interactions energy: -889.972
where: short stacking energy: -366.682
Base-Backbone interact. energy: -0.037
local terms energy: -405.637131
where:
bonds (distance) C4'-P energy: -68.419
bonds (distance) P-C4' energy: -86.361
flat angles C4'-P-C4' energy: -87.828
flat angles P-C4'-P energy: -60.875
tors. eta vs tors. theta energy: -102.154
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1176.984441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.984441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.984441 (E_RNA)
where:
Base-Base interactions energy: -796.474
where: short stacking energy: -345.722
Base-Backbone interact. energy: 1.500
local terms energy: -382.010207
where:
bonds (distance) C4'-P energy: -74.077
bonds (distance) P-C4' energy: -78.332
flat angles C4'-P-C4' energy: -78.799
flat angles P-C4'-P energy: -50.369
tors. eta vs tors. theta energy: -100.433
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: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1113.963491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.963491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.963491 (E_RNA)
where:
Base-Base interactions energy: -748.051
where: short stacking energy: -317.089
Base-Backbone interact. energy: -0.070
local terms energy: -365.842495
where:
bonds (distance) C4'-P energy: -75.198
bonds (distance) P-C4' energy: -69.820
flat angles C4'-P-C4' energy: -79.767
flat angles P-C4'-P energy: -54.340
tors. eta vs tors. theta energy: -86.718
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: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1016.750111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.750111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.750111 (E_RNA)
where:
Base-Base interactions energy: -657.567
where: short stacking energy: -297.217
Base-Backbone interact. energy: -2.597
local terms energy: -356.586107
where:
bonds (distance) C4'-P energy: -77.509
bonds (distance) P-C4' energy: -72.399
flat angles C4'-P-C4' energy: -86.011
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -73.342
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: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -748.429338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.429338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.429338 (E_RNA)
where:
Base-Base interactions energy: -458.916
where: short stacking energy: -224.001
Base-Backbone interact. energy: -1.601
local terms energy: -287.912261
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -70.635
flat angles C4'-P-C4' energy: -64.904
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -50.434
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -579.327455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.327455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.327455 (E_RNA)
where:
Base-Base interactions energy: -323.945
where: short stacking energy: -151.159
Base-Backbone interact. energy: -2.473
local terms energy: -252.909471
where:
bonds (distance) C4'-P energy: -66.264
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -65.518
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -13.259
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: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -434.296191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.296191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.296191 (E_RNA)
where:
Base-Base interactions energy: -219.211
where: short stacking energy: -125.807
Base-Backbone interact. energy: -1.204
local terms energy: -213.880720
where:
bonds (distance) C4'-P energy: -66.081
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -48.094
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: 2.259
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: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -348.625226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.625226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.625226 (E_RNA)
where:
Base-Base interactions energy: -121.142
where: short stacking energy: -96.493
Base-Backbone interact. energy: -1.212
local terms energy: -226.270973
where:
bonds (distance) C4'-P energy: -53.812
bonds (distance) P-C4' energy: -82.904
flat angles C4'-P-C4' energy: -59.153
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: 8.485
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: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1389.014746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.014746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.014746 (E_RNA)
where:
Base-Base interactions energy: -947.829
where: short stacking energy: -375.107
Base-Backbone interact. energy: -0.306
local terms energy: -440.880225
where:
bonds (distance) C4'-P energy: -79.683
bonds (distance) P-C4' energy: -83.725
flat angles C4'-P-C4' energy: -98.295
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -113.790
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: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1345.783405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.783405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.783405 (E_RNA)
where:
Base-Base interactions energy: -949.861
where: short stacking energy: -400.501
Base-Backbone interact. energy: 1.226
local terms energy: -397.148915
where:
bonds (distance) C4'-P energy: -65.746
bonds (distance) P-C4' energy: -74.646
flat angles C4'-P-C4' energy: -89.974
flat angles P-C4'-P energy: -52.390
tors. eta vs tors. theta energy: -114.393
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: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1280.994007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.994007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.994007 (E_RNA)
where:
Base-Base interactions energy: -853.648
where: short stacking energy: -382.198
Base-Backbone interact. energy: -1.884
local terms energy: -425.461798
where:
bonds (distance) C4'-P energy: -78.850
bonds (distance) P-C4' energy: -78.794
flat angles C4'-P-C4' energy: -91.179
flat angles P-C4'-P energy: -61.861
tors. eta vs tors. theta energy: -114.777
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: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1107.555883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.555883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.555883 (E_RNA)
where:
Base-Base interactions energy: -755.363
where: short stacking energy: -320.193
Base-Backbone interact. energy: -2.423
local terms energy: -349.769930
where:
bonds (distance) C4'-P energy: -68.501
bonds (distance) P-C4' energy: -61.609
flat angles C4'-P-C4' energy: -79.796
flat angles P-C4'-P energy: -58.855
tors. eta vs tors. theta energy: -81.009
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: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1151.509768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.509768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.509768 (E_RNA)
where:
Base-Base interactions energy: -787.260
where: short stacking energy: -323.454
Base-Backbone interact. energy: -1.649
local terms energy: -362.600373
where:
bonds (distance) C4'-P energy: -68.244
bonds (distance) P-C4' energy: -69.713
flat angles C4'-P-C4' energy: -88.572
flat angles P-C4'-P energy: -39.464
tors. eta vs tors. theta energy: -96.608
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: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1042.042559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.042559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.042559 (E_RNA)
where:
Base-Base interactions energy: -693.745
where: short stacking energy: -297.755
Base-Backbone interact. energy: 0.405
local terms energy: -348.702851
where:
bonds (distance) C4'-P energy: -72.520
bonds (distance) P-C4' energy: -81.087
flat angles C4'-P-C4' energy: -81.032
flat angles P-C4'-P energy: -46.474
tors. eta vs tors. theta energy: -67.591
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: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -818.089002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.089002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.089002 (E_RNA)
where:
Base-Base interactions energy: -504.775
where: short stacking energy: -224.688
Base-Backbone interact. energy: -1.923
local terms energy: -311.391631
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -76.176
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -64.529
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: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -570.645502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.645502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.645502 (E_RNA)
where:
Base-Base interactions energy: -316.397
where: short stacking energy: -160.091
Base-Backbone interact. energy: 2.626
local terms energy: -256.874322
where:
bonds (distance) C4'-P energy: -60.556
bonds (distance) P-C4' energy: -75.790
flat angles C4'-P-C4' energy: -62.035
flat angles P-C4'-P energy: -39.313
tors. eta vs tors. theta energy: -19.180
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: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -431.424350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.424350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.424350 (E_RNA)
where:
Base-Base interactions energy: -200.013
where: short stacking energy: -110.407
Base-Backbone interact. energy: -1.442
local terms energy: -229.969191
where:
bonds (distance) C4'-P energy: -68.340
bonds (distance) P-C4' energy: -71.296
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: 9.169
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: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -328.244084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.244084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.244084 (E_RNA)
where:
Base-Base interactions energy: -97.460
where: short stacking energy: -75.170
Base-Backbone interact. energy: -1.666
local terms energy: -229.118599
where:
bonds (distance) C4'-P energy: -65.794
bonds (distance) P-C4' energy: -77.493
flat angles C4'-P-C4' energy: -53.617
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: 5.530
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: 292
Temperature: 0.900000
Total energy: -1392.614509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.614509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.614509 (E_RNA)
where:
Base-Base interactions energy: -959.059
where: short stacking energy: -379.967
Base-Backbone interact. energy: -3.229
local terms energy: -430.326046
where:
bonds (distance) C4'-P energy: -82.884
bonds (distance) P-C4' energy: -84.299
flat angles C4'-P-C4' energy: -101.880
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -111.216
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1341.027557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.027557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.027557 (E_RNA)
where:
Base-Base interactions energy: -918.302
where: short stacking energy: -384.546
Base-Backbone interact. energy: 0.589
local terms energy: -423.314991
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -79.326
flat angles C4'-P-C4' energy: -88.382
flat angles P-C4'-P energy: -56.072
tors. eta vs tors. theta energy: -127.964
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: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1286.830086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.830086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.830086 (E_RNA)
where:
Base-Base interactions energy: -877.560
where: short stacking energy: -362.244
Base-Backbone interact. energy: -0.872
local terms energy: -408.397822
where:
bonds (distance) C4'-P energy: -79.758
bonds (distance) P-C4' energy: -69.158
flat angles C4'-P-C4' energy: -83.582
flat angles P-C4'-P energy: -63.588
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: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1115.223812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.223812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.223812 (E_RNA)
where:
Base-Base interactions energy: -751.549
where: short stacking energy: -328.033
Base-Backbone interact. energy: -2.393
local terms energy: -361.281926
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -69.624
flat angles C4'-P-C4' energy: -76.365
flat angles P-C4'-P energy: -54.883
tors. eta vs tors. theta energy: -93.521
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: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1120.763287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.763287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.763287 (E_RNA)
where:
Base-Base interactions energy: -767.649
where: short stacking energy: -332.409
Base-Backbone interact. energy: -0.221
local terms energy: -352.892573
where:
bonds (distance) C4'-P energy: -67.101
bonds (distance) P-C4' energy: -75.177
flat angles C4'-P-C4' energy: -78.075
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -88.190
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: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1035.433144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.433144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.433144 (E_RNA)
where:
Base-Base interactions energy: -694.213
where: short stacking energy: -311.998
Base-Backbone interact. energy: -2.474
local terms energy: -338.746748
where:
bonds (distance) C4'-P energy: -68.815
bonds (distance) P-C4' energy: -72.845
flat angles C4'-P-C4' energy: -80.873
flat angles P-C4'-P energy: -37.320
tors. eta vs tors. theta energy: -78.893
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: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -769.598342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.598342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.598342 (E_RNA)
where:
Base-Base interactions energy: -474.384
where: short stacking energy: -202.292
Base-Backbone interact. energy: -2.598
local terms energy: -292.616356
where:
bonds (distance) C4'-P energy: -70.651
bonds (distance) P-C4' energy: -71.448
flat angles C4'-P-C4' energy: -68.488
flat angles P-C4'-P energy: -36.889
tors. eta vs tors. theta energy: -45.141
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: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -557.746084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.746084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.746084 (E_RNA)
where:
Base-Base interactions energy: -277.467
where: short stacking energy: -135.573
Base-Backbone interact. energy: 0.345
local terms energy: -280.623848
where:
bonds (distance) C4'-P energy: -80.280
bonds (distance) P-C4' energy: -82.444
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -42.855
tors. eta vs tors. theta energy: -16.653
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: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -440.881152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.881152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.881152 (E_RNA)
where:
Base-Base interactions energy: -202.919
where: short stacking energy: -120.685
Base-Backbone interact. energy: -0.536
local terms energy: -237.425617
where:
bonds (distance) C4'-P energy: -66.594
bonds (distance) P-C4' energy: -80.923
flat angles C4'-P-C4' energy: -43.916
flat angles P-C4'-P energy: -41.115
tors. eta vs tors. theta energy: -4.878
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: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -324.942595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.942595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.942595 (E_RNA)
where:
Base-Base interactions energy: -118.303
where: short stacking energy: -86.280
Base-Backbone interact. energy: -0.240
local terms energy: -206.399292
where:
bonds (distance) C4'-P energy: -54.869
bonds (distance) P-C4' energy: -78.664
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: 10.543
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: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1374.628459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.628459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.628459 (E_RNA)
where:
Base-Base interactions energy: -929.903
where: short stacking energy: -372.027
Base-Backbone interact. energy: -4.328
local terms energy: -440.397729
where:
bonds (distance) C4'-P energy: -84.685
bonds (distance) P-C4' energy: -77.111
flat angles C4'-P-C4' energy: -97.783
flat angles P-C4'-P energy: -59.865
tors. eta vs tors. theta energy: -120.954
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: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1337.720960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.720960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.720960 (E_RNA)
where:
Base-Base interactions energy: -902.931
where: short stacking energy: -372.142
Base-Backbone interact. energy: -0.492
local terms energy: -434.297559
where:
bonds (distance) C4'-P energy: -84.733
bonds (distance) P-C4' energy: -69.630
flat angles C4'-P-C4' energy: -92.591
flat angles P-C4'-P energy: -68.193
tors. eta vs tors. theta energy: -119.150
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: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1298.719810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.719810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.719810 (E_RNA)
where:
Base-Base interactions energy: -892.286
where: short stacking energy: -387.836
Base-Backbone interact. energy: -1.938
local terms energy: -404.496516
where:
bonds (distance) C4'-P energy: -74.994
bonds (distance) P-C4' energy: -70.658
flat angles C4'-P-C4' energy: -89.208
flat angles P-C4'-P energy: -59.348
tors. eta vs tors. theta energy: -110.288
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: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1155.911609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.911609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.911609 (E_RNA)
where:
Base-Base interactions energy: -766.010
where: short stacking energy: -341.691
Base-Backbone interact. energy: 0.997
local terms energy: -390.898501
where:
bonds (distance) C4'-P energy: -68.247
bonds (distance) P-C4' energy: -86.694
flat angles C4'-P-C4' energy: -80.590
flat angles P-C4'-P energy: -60.622
tors. eta vs tors. theta energy: -94.746
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: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1080.520958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.520958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.520958 (E_RNA)
where:
Base-Base interactions energy: -721.669
where: short stacking energy: -288.764
Base-Backbone interact. energy: 1.277
local terms energy: -360.129392
where:
bonds (distance) C4'-P energy: -77.213
bonds (distance) P-C4' energy: -81.017
flat angles C4'-P-C4' energy: -71.729
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: -79.351
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: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1027.956383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.956383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.956383 (E_RNA)
where:
Base-Base interactions energy: -691.026
where: short stacking energy: -280.789
Base-Backbone interact. energy: -1.700
local terms energy: -335.231339
where:
bonds (distance) C4'-P energy: -69.183
bonds (distance) P-C4' energy: -69.912
flat angles C4'-P-C4' energy: -64.856
flat angles P-C4'-P energy: -56.718
tors. eta vs tors. theta energy: -74.562
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: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -789.979039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.979039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.979039 (E_RNA)
where:
Base-Base interactions energy: -490.412
where: short stacking energy: -230.141
Base-Backbone interact. energy: -3.039
local terms energy: -296.528224
where:
bonds (distance) C4'-P energy: -64.859
bonds (distance) P-C4' energy: -77.137
flat angles C4'-P-C4' energy: -73.103
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -46.763
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: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -528.759199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.759199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.759199 (E_RNA)
where:
Base-Base interactions energy: -261.476
where: short stacking energy: -133.588
Base-Backbone interact. energy: 3.879
local terms energy: -271.162992
where:
bonds (distance) C4'-P energy: -90.595
bonds (distance) P-C4' energy: -78.901
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -5.044
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -453.278462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.278462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.278462 (E_RNA)
where:
Base-Base interactions energy: -197.754
where: short stacking energy: -130.270
Base-Backbone interact. energy: -1.707
local terms energy: -253.817944
where:
bonds (distance) C4'-P energy: -57.537
bonds (distance) P-C4' energy: -71.005
flat angles C4'-P-C4' energy: -63.515
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: -10.348
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: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -312.869247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.869247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.869247 (E_RNA)
where:
Base-Base interactions energy: -88.681
where: short stacking energy: -80.567
Base-Backbone interact. energy: -2.121
local terms energy: -222.068214
where:
bonds (distance) C4'-P energy: -64.188
bonds (distance) P-C4' energy: -77.799
flat angles C4'-P-C4' energy: -45.078
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: 11.844
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: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1377.715463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.715463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.715463 (E_RNA)
where:
Base-Base interactions energy: -951.140
where: short stacking energy: -380.914
Base-Backbone interact. energy: -3.025
local terms energy: -423.550109
where:
bonds (distance) C4'-P energy: -76.371
bonds (distance) P-C4' energy: -88.924
flat angles C4'-P-C4' energy: -87.884
flat angles P-C4'-P energy: -54.521
tors. eta vs tors. theta energy: -115.851
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1355.866899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.866899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.866899 (E_RNA)
where:
Base-Base interactions energy: -937.757
where: short stacking energy: -404.291
Base-Backbone interact. energy: -0.445
local terms energy: -417.664239
where:
bonds (distance) C4'-P energy: -72.783
bonds (distance) P-C4' energy: -74.793
flat angles C4'-P-C4' energy: -91.199
flat angles P-C4'-P energy: -52.597
tors. eta vs tors. theta energy: -126.292
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: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1302.786672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.786672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.786672 (E_RNA)
where:
Base-Base interactions energy: -882.928
where: short stacking energy: -381.830
Base-Backbone interact. energy: -2.343
local terms energy: -417.515980
where:
bonds (distance) C4'-P energy: -69.975
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -96.980
flat angles P-C4'-P energy: -59.767
tors. eta vs tors. theta energy: -111.982
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: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1112.069977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.069977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.069977 (E_RNA)
where:
Base-Base interactions energy: -739.674
where: short stacking energy: -320.499
Base-Backbone interact. energy: 0.148
local terms energy: -372.544365
where:
bonds (distance) C4'-P energy: -64.452
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -87.279
flat angles P-C4'-P energy: -46.864
tors. eta vs tors. theta energy: -91.158
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: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1113.894518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.894518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.894518 (E_RNA)
where:
Base-Base interactions energy: -752.804
where: short stacking energy: -315.106
Base-Backbone interact. energy: -0.346
local terms energy: -360.744667
where:
bonds (distance) C4'-P energy: -69.879
bonds (distance) P-C4' energy: -66.709
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -50.022
tors. eta vs tors. theta energy: -91.051
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: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1005.484428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.484428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.484428 (E_RNA)
where:
Base-Base interactions energy: -658.210
where: short stacking energy: -284.329
Base-Backbone interact. energy: -0.859
local terms energy: -346.415163
where:
bonds (distance) C4'-P energy: -59.452
bonds (distance) P-C4' energy: -80.611
flat angles C4'-P-C4' energy: -76.950
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -83.299
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: 294
Temperature: 1.200000
Total energy: -800.336678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.336678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.336678 (E_RNA)
where:
Base-Base interactions energy: -496.468
where: short stacking energy: -218.959
Base-Backbone interact. energy: -2.615
local terms energy: -301.253443
where:
bonds (distance) C4'-P energy: -61.474
bonds (distance) P-C4' energy: -70.937
flat angles C4'-P-C4' energy: -71.441
flat angles P-C4'-P energy: -53.112
tors. eta vs tors. theta energy: -44.289
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -523.464762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.464762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.464762 (E_RNA)
where:
Base-Base interactions energy: -269.489
where: short stacking energy: -156.387
Base-Backbone interact. energy: 0.117
local terms energy: -254.093139
where:
bonds (distance) C4'-P energy: -69.133
bonds (distance) P-C4' energy: -70.785
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -21.514
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: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -439.582399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.582399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.582399 (E_RNA)
where:
Base-Base interactions energy: -205.421
where: short stacking energy: -120.282
Base-Backbone interact. energy: -1.046
local terms energy: -233.114828
where:
bonds (distance) C4'-P energy: -64.828
bonds (distance) P-C4' energy: -75.287
flat angles C4'-P-C4' energy: -54.932
flat angles P-C4'-P energy: -32.645
tors. eta vs tors. theta energy: -5.422
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: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -321.927296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.927296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.927296 (E_RNA)
where:
Base-Base interactions energy: -95.051
where: short stacking energy: -79.885
Base-Backbone interact. energy: 0.586
local terms energy: -227.462642
where:
bonds (distance) C4'-P energy: -67.560
bonds (distance) P-C4' energy: -64.338
flat angles C4'-P-C4' energy: -63.759
flat angles P-C4'-P energy: -37.150
tors. eta vs tors. theta energy: 5.344
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: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1381.166245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.166245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.166245 (E_RNA)
where:
Base-Base interactions energy: -957.407
where: short stacking energy: -381.378
Base-Backbone interact. energy: 0.204
local terms energy: -423.963058
where:
bonds (distance) C4'-P energy: -71.175
bonds (distance) P-C4' energy: -91.333
flat angles C4'-P-C4' energy: -85.212
flat angles P-C4'-P energy: -59.858
tors. eta vs tors. theta energy: -116.385
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: 295
Temperature: 0.950000
Total energy: -1334.865077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.865077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.865077 (E_RNA)
where:
Base-Base interactions energy: -909.164
where: short stacking energy: -379.219
Base-Backbone interact. energy: 1.727
local terms energy: -427.427312
where:
bonds (distance) C4'-P energy: -75.834
bonds (distance) P-C4' energy: -80.067
flat angles C4'-P-C4' energy: -92.338
flat angles P-C4'-P energy: -59.019
tors. eta vs tors. theta energy: -120.169
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: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1296.103673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.103673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.103673 (E_RNA)
where:
Base-Base interactions energy: -891.438
where: short stacking energy: -360.750
Base-Backbone interact. energy: 2.170
local terms energy: -406.835822
where:
bonds (distance) C4'-P energy: -82.172
bonds (distance) P-C4' energy: -76.854
flat angles C4'-P-C4' energy: -86.555
flat angles P-C4'-P energy: -57.134
tors. eta vs tors. theta energy: -104.121
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: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1155.781942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.781942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.781942 (E_RNA)
where:
Base-Base interactions energy: -784.958
where: short stacking energy: -329.976
Base-Backbone interact. energy: -1.308
local terms energy: -369.516243
where:
bonds (distance) C4'-P energy: -66.230
bonds (distance) P-C4' energy: -84.450
flat angles C4'-P-C4' energy: -78.118
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -96.103
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: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1069.977777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.977777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.977777 (E_RNA)
where:
Base-Base interactions energy: -716.635
where: short stacking energy: -298.993
Base-Backbone interact. energy: -2.391
local terms energy: -350.952246
where:
bonds (distance) C4'-P energy: -74.491
bonds (distance) P-C4' energy: -70.303
flat angles C4'-P-C4' energy: -77.616
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -82.335
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: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1027.705479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.705479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.705479 (E_RNA)
where:
Base-Base interactions energy: -695.158
where: short stacking energy: -281.851
Base-Backbone interact. energy: 0.094
local terms energy: -332.641055
where:
bonds (distance) C4'-P energy: -67.097
bonds (distance) P-C4' energy: -73.684
flat angles C4'-P-C4' energy: -69.368
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -74.363
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: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -763.752167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.752167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.752167 (E_RNA)
where:
Base-Base interactions energy: -472.620
where: short stacking energy: -202.062
Base-Backbone interact. energy: -1.923
local terms energy: -289.209085
where:
bonds (distance) C4'-P energy: -72.877
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -39.469
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: 295
Temperature: 1.250000
Total energy: -590.566892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.566892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.566892 (E_RNA)
where:
Base-Base interactions energy: -337.635
where: short stacking energy: -172.646
Base-Backbone interact. energy: -1.037
local terms energy: -251.894626
where:
bonds (distance) C4'-P energy: -56.225
bonds (distance) P-C4' energy: -66.174
flat angles C4'-P-C4' energy: -66.749
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -29.526
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: 295
Temperature: 1.300000
Total energy: -460.009930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.009930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.009930 (E_RNA)
where:
Base-Base interactions energy: -231.415
where: short stacking energy: -120.417
Base-Backbone interact. energy: 3.841
local terms energy: -232.436341
where:
bonds (distance) C4'-P energy: -75.506
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -45.711
tors. eta vs tors. theta energy: -4.632
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -308.963177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.963177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.963177 (E_RNA)
where:
Base-Base interactions energy: -115.729
where: short stacking energy: -89.896
Base-Backbone interact. energy: 2.784
local terms energy: -196.018265
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -72.586
flat angles C4'-P-C4' energy: -58.673
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: 16.101
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: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1376.892012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.892012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.892012 (E_RNA)
where:
Base-Base interactions energy: -955.648
where: short stacking energy: -388.399
Base-Backbone interact. energy: -1.450
local terms energy: -419.794011
where:
bonds (distance) C4'-P energy: -76.273
bonds (distance) P-C4' energy: -80.505
flat angles C4'-P-C4' energy: -88.472
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -115.160
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: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1367.836113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.836113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.836113 (E_RNA)
where:
Base-Base interactions energy: -938.563
where: short stacking energy: -386.363
Base-Backbone interact. energy: -1.175
local terms energy: -428.097998
where:
bonds (distance) C4'-P energy: -75.886
bonds (distance) P-C4' energy: -82.554
flat angles C4'-P-C4' energy: -95.592
flat angles P-C4'-P energy: -62.422
tors. eta vs tors. theta energy: -111.643
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1309.169823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.169823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.169823 (E_RNA)
where:
Base-Base interactions energy: -910.516
where: short stacking energy: -363.084
Base-Backbone interact. energy: 0.114
local terms energy: -398.767841
where:
bonds (distance) C4'-P energy: -69.221
bonds (distance) P-C4' energy: -86.942
flat angles C4'-P-C4' energy: -82.513
flat angles P-C4'-P energy: -53.345
tors. eta vs tors. theta energy: -106.747
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: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1143.525198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.525198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.525198 (E_RNA)
where:
Base-Base interactions energy: -778.899
where: short stacking energy: -327.917
Base-Backbone interact. energy: -1.563
local terms energy: -363.062916
where:
bonds (distance) C4'-P energy: -77.340
bonds (distance) P-C4' energy: -62.903
flat angles C4'-P-C4' energy: -80.844
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -88.122
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: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1069.212989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.212989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.212989 (E_RNA)
where:
Base-Base interactions energy: -728.078
where: short stacking energy: -318.473
Base-Backbone interact. energy: 2.121
local terms energy: -343.256386
where:
bonds (distance) C4'-P energy: -67.903
bonds (distance) P-C4' energy: -69.177
flat angles C4'-P-C4' energy: -78.570
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -88.741
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: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1047.208430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.208430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.208430 (E_RNA)
where:
Base-Base interactions energy: -707.001
where: short stacking energy: -311.332
Base-Backbone interact. energy: -0.345
local terms energy: -339.862317
where:
bonds (distance) C4'-P energy: -63.264
bonds (distance) P-C4' energy: -70.076
flat angles C4'-P-C4' energy: -73.128
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: -92.215
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: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -793.073401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.073401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.073401 (E_RNA)
where:
Base-Base interactions energy: -495.192
where: short stacking energy: -211.868
Base-Backbone interact. energy: -1.566
local terms energy: -296.315751
where:
bonds (distance) C4'-P energy: -76.660
bonds (distance) P-C4' energy: -63.869
flat angles C4'-P-C4' energy: -68.232
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -45.152
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: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -580.852148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.852148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.852148 (E_RNA)
where:
Base-Base interactions energy: -329.626
where: short stacking energy: -151.874
Base-Backbone interact. energy: -0.192
local terms energy: -251.034221
where:
bonds (distance) C4'-P energy: -59.884
bonds (distance) P-C4' energy: -78.618
flat angles C4'-P-C4' energy: -60.896
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -19.747
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: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -424.097860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.097860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.097860 (E_RNA)
where:
Base-Base interactions energy: -197.203
where: short stacking energy: -105.843
Base-Backbone interact. energy: -1.221
local terms energy: -225.674093
where:
bonds (distance) C4'-P energy: -60.355
bonds (distance) P-C4' energy: -55.595
flat angles C4'-P-C4' energy: -68.953
flat angles P-C4'-P energy: -46.392
tors. eta vs tors. theta energy: 5.621
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: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -346.845890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.845890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.845890 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -101.018
Base-Backbone interact. energy: 2.276
local terms energy: -206.372679
where:
bonds (distance) C4'-P energy: -69.991
bonds (distance) P-C4' energy: -55.113
flat angles C4'-P-C4' energy: -56.182
flat angles P-C4'-P energy: -37.711
tors. eta vs tors. theta energy: 12.625
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: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1389.699470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.699470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.699470 (E_RNA)
where:
Base-Base interactions energy: -957.452
where: short stacking energy: -398.930
Base-Backbone interact. energy: -2.012
local terms energy: -430.235544
where:
bonds (distance) C4'-P energy: -82.301
bonds (distance) P-C4' energy: -78.257
flat angles C4'-P-C4' energy: -88.558
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -124.212
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: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1351.981872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.981872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.981872 (E_RNA)
where:
Base-Base interactions energy: -941.956
where: short stacking energy: -380.058
Base-Backbone interact. energy: -0.279
local terms energy: -409.746644
where:
bonds (distance) C4'-P energy: -70.055
bonds (distance) P-C4' energy: -82.554
flat angles C4'-P-C4' energy: -86.289
flat angles P-C4'-P energy: -56.198
tors. eta vs tors. theta energy: -114.651
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: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1306.604222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.604222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.604222 (E_RNA)
where:
Base-Base interactions energy: -901.576
where: short stacking energy: -357.914
Base-Backbone interact. energy: -2.512
local terms energy: -402.516856
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -85.468
flat angles P-C4'-P energy: -64.329
tors. eta vs tors. theta energy: -102.464
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: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1141.428480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.428480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.428480 (E_RNA)
where:
Base-Base interactions energy: -752.731
where: short stacking energy: -319.705
Base-Backbone interact. energy: -1.040
local terms energy: -387.657962
where:
bonds (distance) C4'-P energy: -75.859
bonds (distance) P-C4' energy: -75.091
flat angles C4'-P-C4' energy: -78.392
flat angles P-C4'-P energy: -62.842
tors. eta vs tors. theta energy: -95.475
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1097.201781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.201781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.201781 (E_RNA)
where:
Base-Base interactions energy: -742.976
where: short stacking energy: -349.683
Base-Backbone interact. energy: -1.548
local terms energy: -352.677805
where:
bonds (distance) C4'-P energy: -64.398
bonds (distance) P-C4' energy: -67.259
flat angles C4'-P-C4' energy: -74.494
flat angles P-C4'-P energy: -40.593
tors. eta vs tors. theta energy: -105.934
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: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1089.826032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.826032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.826032 (E_RNA)
where:
Base-Base interactions energy: -726.907
where: short stacking energy: -315.906
Base-Backbone interact. energy: -1.002
local terms energy: -361.917445
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -75.489
flat angles C4'-P-C4' energy: -77.061
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -84.933
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: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -722.300855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.300855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.300855 (E_RNA)
where:
Base-Base interactions energy: -456.415
where: short stacking energy: -187.572
Base-Backbone interact. energy: -1.224
local terms energy: -264.662133
where:
bonds (distance) C4'-P energy: -59.380
bonds (distance) P-C4' energy: -79.151
flat angles C4'-P-C4' energy: -70.394
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -23.740
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -637.498589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.498589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.498589 (E_RNA)
where:
Base-Base interactions energy: -376.991
where: short stacking energy: -186.159
Base-Backbone interact. energy: -1.058
local terms energy: -259.449186
where:
bonds (distance) C4'-P energy: -65.721
bonds (distance) P-C4' energy: -64.114
flat angles C4'-P-C4' energy: -60.004
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -25.245
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: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -390.275224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.275224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.275224 (E_RNA)
where:
Base-Base interactions energy: -190.446
where: short stacking energy: -109.116
Base-Backbone interact. energy: 1.849
local terms energy: -201.677914
where:
bonds (distance) C4'-P energy: -69.707
bonds (distance) P-C4' energy: -56.570
flat angles C4'-P-C4' energy: -44.470
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: -3.553
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: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -318.062237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.062237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.062237 (E_RNA)
where:
Base-Base interactions energy: -115.549
where: short stacking energy: -71.737
Base-Backbone interact. energy: -4.047
local terms energy: -198.467161
where:
bonds (distance) C4'-P energy: -63.286
bonds (distance) P-C4' energy: -72.017
flat angles C4'-P-C4' energy: -38.515
flat angles P-C4'-P energy: -42.131
tors. eta vs tors. theta energy: 17.482
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: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1366.638716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.638716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.638716 (E_RNA)
where:
Base-Base interactions energy: -932.349
where: short stacking energy: -401.647
Base-Backbone interact. energy: 0.194
local terms energy: -434.483813
where:
bonds (distance) C4'-P energy: -77.124
bonds (distance) P-C4' energy: -77.157
flat angles C4'-P-C4' energy: -99.259
flat angles P-C4'-P energy: -48.854
tors. eta vs tors. theta energy: -132.090
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: 298
Temperature: 0.950000
Total energy: -1355.227957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.227957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.227957 (E_RNA)
where:
Base-Base interactions energy: -954.889
where: short stacking energy: -385.726
Base-Backbone interact. energy: -2.772
local terms energy: -397.567059
where:
bonds (distance) C4'-P energy: -77.516
bonds (distance) P-C4' energy: -72.047
flat angles C4'-P-C4' energy: -84.519
flat angles P-C4'-P energy: -59.014
tors. eta vs tors. theta energy: -104.471
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: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1310.297737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.297737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.297737 (E_RNA)
where:
Base-Base interactions energy: -899.079
where: short stacking energy: -355.777
Base-Backbone interact. energy: -3.501
local terms energy: -407.717883
where:
bonds (distance) C4'-P energy: -63.822
bonds (distance) P-C4' energy: -83.588
flat angles C4'-P-C4' energy: -80.370
flat angles P-C4'-P energy: -68.043
tors. eta vs tors. theta energy: -111.895
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: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1120.013632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.013632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.013632 (E_RNA)
where:
Base-Base interactions energy: -759.353
where: short stacking energy: -314.641
Base-Backbone interact. energy: -2.127
local terms energy: -358.533879
where:
bonds (distance) C4'-P energy: -74.597
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -79.317
flat angles P-C4'-P energy: -46.749
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: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1059.054050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.054050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.054050 (E_RNA)
where:
Base-Base interactions energy: -711.710
where: short stacking energy: -317.523
Base-Backbone interact. energy: -1.263
local terms energy: -346.080236
where:
bonds (distance) C4'-P energy: -72.762
bonds (distance) P-C4' energy: -63.844
flat angles C4'-P-C4' energy: -71.891
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -84.021
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: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1088.696851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.696851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.696851 (E_RNA)
where:
Base-Base interactions energy: -738.787
where: short stacking energy: -319.901
Base-Backbone interact. energy: -0.483
local terms energy: -349.427001
where:
bonds (distance) C4'-P energy: -69.288
bonds (distance) P-C4' energy: -74.676
flat angles C4'-P-C4' energy: -71.120
flat angles P-C4'-P energy: -39.120
tors. eta vs tors. theta energy: -95.224
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: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -817.381350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.381350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.381350 (E_RNA)
where:
Base-Base interactions energy: -515.363
where: short stacking energy: -222.014
Base-Backbone interact. energy: -0.809
local terms energy: -301.209181
where:
bonds (distance) C4'-P energy: -65.355
bonds (distance) P-C4' energy: -74.282
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -47.438
tors. eta vs tors. theta energy: -58.231
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: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -634.988341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.988341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.988341 (E_RNA)
where:
Base-Base interactions energy: -370.868
where: short stacking energy: -165.903
Base-Backbone interact. energy: 1.009
local terms energy: -265.129342
where:
bonds (distance) C4'-P energy: -66.033
bonds (distance) P-C4' energy: -64.231
flat angles C4'-P-C4' energy: -69.780
flat angles P-C4'-P energy: -42.481
tors. eta vs tors. theta energy: -22.604
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -331.277983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.277983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.277983 (E_RNA)
where:
Base-Base interactions energy: -91.171
where: short stacking energy: -84.967
Base-Backbone interact. energy: 0.165
local terms energy: -240.271754
where:
bonds (distance) C4'-P energy: -65.186
bonds (distance) P-C4' energy: -68.867
flat angles C4'-P-C4' energy: -69.973
flat angles P-C4'-P energy: -47.810
tors. eta vs tors. theta energy: 11.564
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: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -327.075688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.075688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.075688 (E_RNA)
where:
Base-Base interactions energy: -124.021
where: short stacking energy: -84.637
Base-Backbone interact. energy: 0.787
local terms energy: -203.841756
where:
bonds (distance) C4'-P energy: -75.550
bonds (distance) P-C4' energy: -79.731
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: 17.552
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1356.732636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.732636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.732636 (E_RNA)
where:
Base-Base interactions energy: -926.695
where: short stacking energy: -385.108
Base-Backbone interact. energy: 0.231
local terms energy: -430.268963
where:
bonds (distance) C4'-P energy: -79.546
bonds (distance) P-C4' energy: -75.916
flat angles C4'-P-C4' energy: -90.159
flat angles P-C4'-P energy: -60.633
tors. eta vs tors. theta energy: -124.014
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: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1356.617300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.617300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.617300 (E_RNA)
where:
Base-Base interactions energy: -945.968
where: short stacking energy: -369.882
Base-Backbone interact. energy: -0.858
local terms energy: -409.791051
where:
bonds (distance) C4'-P energy: -68.091
bonds (distance) P-C4' energy: -79.156
flat angles C4'-P-C4' energy: -93.548
flat angles P-C4'-P energy: -54.361
tors. eta vs tors. theta energy: -114.635
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: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1278.976517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.976517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.976517 (E_RNA)
where:
Base-Base interactions energy: -883.664
where: short stacking energy: -362.975
Base-Backbone interact. energy: -0.708
local terms energy: -394.605131
where:
bonds (distance) C4'-P energy: -69.582
bonds (distance) P-C4' energy: -81.643
flat angles C4'-P-C4' energy: -78.733
flat angles P-C4'-P energy: -57.261
tors. eta vs tors. theta energy: -107.386
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: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1156.743686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.743686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.743686 (E_RNA)
where:
Base-Base interactions energy: -764.407
where: short stacking energy: -300.702
Base-Backbone interact. energy: -2.311
local terms energy: -390.026269
where:
bonds (distance) C4'-P energy: -85.844
bonds (distance) P-C4' energy: -73.964
flat angles C4'-P-C4' energy: -78.371
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -91.692
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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1047.248972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.248972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.248972 (E_RNA)
where:
Base-Base interactions energy: -686.831
where: short stacking energy: -289.099
Base-Backbone interact. energy: -1.476
local terms energy: -358.941557
where:
bonds (distance) C4'-P energy: -71.144
bonds (distance) P-C4' energy: -66.737
flat angles C4'-P-C4' energy: -78.459
flat angles P-C4'-P energy: -54.641
tors. eta vs tors. theta energy: -87.961
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: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1094.564750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.564750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.564750 (E_RNA)
where:
Base-Base interactions energy: -749.493
where: short stacking energy: -321.823
Base-Backbone interact. energy: 0.664
local terms energy: -345.735646
where:
bonds (distance) C4'-P energy: -71.730
bonds (distance) P-C4' energy: -61.739
flat angles C4'-P-C4' energy: -74.054
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -91.550
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -837.724934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.724934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.724934 (E_RNA)
where:
Base-Base interactions energy: -527.365
where: short stacking energy: -232.906
Base-Backbone interact. energy: 0.060
local terms energy: -310.419872
where:
bonds (distance) C4'-P energy: -75.078
bonds (distance) P-C4' energy: -66.483
flat angles C4'-P-C4' energy: -75.809
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: -39.962
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: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -554.030663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.030663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.030663 (E_RNA)
where:
Base-Base interactions energy: -282.572
where: short stacking energy: -150.158
Base-Backbone interact. energy: -1.414
local terms energy: -270.044745
where:
bonds (distance) C4'-P energy: -69.848
bonds (distance) P-C4' energy: -67.807
flat angles C4'-P-C4' energy: -61.350
flat angles P-C4'-P energy: -52.399
tors. eta vs tors. theta energy: -18.640
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: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -354.116850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.116850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.116850 (E_RNA)
where:
Base-Base interactions energy: -141.026
where: short stacking energy: -131.503
Base-Backbone interact. energy: -1.192
local terms energy: -211.898825
where:
bonds (distance) C4'-P energy: -53.173
bonds (distance) P-C4' energy: -67.919
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -4.482
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: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -344.887681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.887681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.887681 (E_RNA)
where:
Base-Base interactions energy: -163.915
where: short stacking energy: -104.294
Base-Backbone interact. energy: 7.797
local terms energy: -188.769135
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -73.359
flat angles C4'-P-C4' energy: -42.207
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: 5.636
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: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1364.034457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.034457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.034457 (E_RNA)
where:
Base-Base interactions energy: -930.200
where: short stacking energy: -365.155
Base-Backbone interact. energy: 1.683
local terms energy: -435.516798
where:
bonds (distance) C4'-P energy: -75.559
bonds (distance) P-C4' energy: -87.844
flat angles C4'-P-C4' energy: -98.851
flat angles P-C4'-P energy: -61.369
tors. eta vs tors. theta energy: -111.894
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: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1338.997734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.997734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.997734 (E_RNA)
where:
Base-Base interactions energy: -923.918
where: short stacking energy: -395.008
Base-Backbone interact. energy: 5.012
local terms energy: -420.092328
where:
bonds (distance) C4'-P energy: -71.432
bonds (distance) P-C4' energy: -85.080
flat angles C4'-P-C4' energy: -84.825
flat angles P-C4'-P energy: -53.025
tors. eta vs tors. theta energy: -125.729
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: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1300.592310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.592310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.592310 (E_RNA)
where:
Base-Base interactions energy: -897.634
where: short stacking energy: -373.090
Base-Backbone interact. energy: -1.169
local terms energy: -401.789754
where:
bonds (distance) C4'-P energy: -70.447
bonds (distance) P-C4' energy: -74.855
flat angles C4'-P-C4' energy: -88.555
flat angles P-C4'-P energy: -56.975
tors. eta vs tors. theta energy: -110.958
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: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1202.414651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.414651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.414651 (E_RNA)
where:
Base-Base interactions energy: -833.061
where: short stacking energy: -348.390
Base-Backbone interact. energy: 0.458
local terms energy: -369.811726
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -70.866
flat angles C4'-P-C4' energy: -83.475
flat angles P-C4'-P energy: -52.817
tors. eta vs tors. theta energy: -98.029
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: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1127.673712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.673712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.673712 (E_RNA)
where:
Base-Base interactions energy: -762.172
where: short stacking energy: -326.547
Base-Backbone interact. energy: -2.966
local terms energy: -362.535781
where:
bonds (distance) C4'-P energy: -58.369
bonds (distance) P-C4' energy: -65.086
flat angles C4'-P-C4' energy: -83.584
flat angles P-C4'-P energy: -55.488
tors. eta vs tors. theta energy: -100.009
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1007.848502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.848502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.848502 (E_RNA)
where:
Base-Base interactions energy: -666.984
where: short stacking energy: -273.143
Base-Backbone interact. energy: 0.757
local terms energy: -341.622079
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -67.649
flat angles C4'-P-C4' energy: -82.969
flat angles P-C4'-P energy: -48.351
tors. eta vs tors. theta energy: -76.739
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: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -842.289081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.289081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.289081 (E_RNA)
where:
Base-Base interactions energy: -558.717
where: short stacking energy: -242.339
Base-Backbone interact. energy: 0.395
local terms energy: -283.967460
where:
bonds (distance) C4'-P energy: -65.810
bonds (distance) P-C4' energy: -62.625
flat angles C4'-P-C4' energy: -63.890
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -57.225
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: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -537.379470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.379470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.379470 (E_RNA)
where:
Base-Base interactions energy: -307.601
where: short stacking energy: -142.838
Base-Backbone interact. energy: -0.333
local terms energy: -229.445887
where:
bonds (distance) C4'-P energy: -72.380
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -10.750
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: 300
Temperature: 1.300000
Total energy: -333.960806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.960806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.960806 (E_RNA)
where:
Base-Base interactions energy: -114.869
where: short stacking energy: -90.495
Base-Backbone interact. energy: -1.355
local terms energy: -217.737014
where:
bonds (distance) C4'-P energy: -69.647
bonds (distance) P-C4' energy: -60.138
flat angles C4'-P-C4' energy: -70.231
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: 17.753
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: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -332.893075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.893075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.893075 (E_RNA)
where:
Base-Base interactions energy: -136.297
where: short stacking energy: -87.814
Base-Backbone interact. energy: -0.672
local terms energy: -195.924914
where:
bonds (distance) C4'-P energy: -64.908
bonds (distance) P-C4' energy: -45.095
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: 10.721
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: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1371.770665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.770665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.770665 (E_RNA)
where:
Base-Base interactions energy: -943.896
where: short stacking energy: -379.031
Base-Backbone interact. energy: -4.029
local terms energy: -423.845493
where:
bonds (distance) C4'-P energy: -83.449
bonds (distance) P-C4' energy: -75.304
flat angles C4'-P-C4' energy: -90.187
flat angles P-C4'-P energy: -60.032
tors. eta vs tors. theta energy: -114.874
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: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1350.852619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.852619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.852619 (E_RNA)
where:
Base-Base interactions energy: -928.633
where: short stacking energy: -398.511
Base-Backbone interact. energy: -1.335
local terms energy: -420.884252
where:
bonds (distance) C4'-P energy: -78.688
bonds (distance) P-C4' energy: -78.932
flat angles C4'-P-C4' energy: -93.965
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: -119.488
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: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1303.662049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.662049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.662049 (E_RNA)
where:
Base-Base interactions energy: -916.350
where: short stacking energy: -361.840
Base-Backbone interact. energy: -3.209
local terms energy: -384.102695
where:
bonds (distance) C4'-P energy: -73.600
bonds (distance) P-C4' energy: -68.970
flat angles C4'-P-C4' energy: -74.718
flat angles P-C4'-P energy: -60.987
tors. eta vs tors. theta energy: -105.827
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: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1163.524472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.524472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.524472 (E_RNA)
where:
Base-Base interactions energy: -799.210
where: short stacking energy: -323.335
Base-Backbone interact. energy: -3.948
local terms energy: -360.366458
where:
bonds (distance) C4'-P energy: -69.778
bonds (distance) P-C4' energy: -67.910
flat angles C4'-P-C4' energy: -81.987
flat angles P-C4'-P energy: -56.903
tors. eta vs tors. theta energy: -83.788
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: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1104.534293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.534293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.534293 (E_RNA)
where:
Base-Base interactions energy: -732.899
where: short stacking energy: -317.315
Base-Backbone interact. energy: -2.503
local terms energy: -369.132516
where:
bonds (distance) C4'-P energy: -76.618
bonds (distance) P-C4' energy: -75.316
flat angles C4'-P-C4' energy: -84.603
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -79.487
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: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1040.464164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.464164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.464164 (E_RNA)
where:
Base-Base interactions energy: -679.719
where: short stacking energy: -276.713
Base-Backbone interact. energy: 0.541
local terms energy: -361.286265
where:
bonds (distance) C4'-P energy: -81.983
bonds (distance) P-C4' energy: -76.628
flat angles C4'-P-C4' energy: -71.281
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: -75.197
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: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -826.283962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.283962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.283962 (E_RNA)
where:
Base-Base interactions energy: -533.280
where: short stacking energy: -226.611
Base-Backbone interact. energy: -2.029
local terms energy: -290.975511
where:
bonds (distance) C4'-P energy: -59.026
bonds (distance) P-C4' energy: -63.892
flat angles C4'-P-C4' energy: -70.544
flat angles P-C4'-P energy: -50.769
tors. eta vs tors. theta energy: -46.745
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: 301
Temperature: 1.250000
Total energy: -594.013414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.013414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.013414 (E_RNA)
where:
Base-Base interactions energy: -339.753
where: short stacking energy: -165.218
Base-Backbone interact. energy: 1.196
local terms energy: -255.455843
where:
bonds (distance) C4'-P energy: -54.782
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -62.450
flat angles P-C4'-P energy: -52.251
tors. eta vs tors. theta energy: -23.051
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: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -358.153195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.153195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.153195 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -97.193
Base-Backbone interact. energy: 4.463
local terms energy: -224.365731
where:
bonds (distance) C4'-P energy: -64.473
bonds (distance) P-C4' energy: -78.095
flat angles C4'-P-C4' energy: -46.508
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: 0.249
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: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -315.374282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.374282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.374282 (E_RNA)
where:
Base-Base interactions energy: -101.989
where: short stacking energy: -85.301
Base-Backbone interact. energy: 2.379
local terms energy: -215.764491
where:
bonds (distance) C4'-P energy: -62.846
bonds (distance) P-C4' energy: -76.017
flat angles C4'-P-C4' energy: -40.453
flat angles P-C4'-P energy: -30.694
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: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1393.666704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.666704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.666704 (E_RNA)
where:
Base-Base interactions energy: -975.695
where: short stacking energy: -393.538
Base-Backbone interact. energy: -1.699
local terms energy: -416.272378
where:
bonds (distance) C4'-P energy: -83.032
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -98.584
flat angles P-C4'-P energy: -52.519
tors. eta vs tors. theta energy: -115.018
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: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1371.397982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.397982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.397982 (E_RNA)
where:
Base-Base interactions energy: -941.995
where: short stacking energy: -404.935
Base-Backbone interact. energy: -1.429
local terms energy: -427.974109
where:
bonds (distance) C4'-P energy: -78.015
bonds (distance) P-C4' energy: -76.821
flat angles C4'-P-C4' energy: -82.250
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: -132.657
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: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1280.777266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.777266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.777266 (E_RNA)
where:
Base-Base interactions energy: -873.450
where: short stacking energy: -345.748
Base-Backbone interact. energy: -1.251
local terms energy: -406.076136
where:
bonds (distance) C4'-P energy: -86.354
bonds (distance) P-C4' energy: -74.416
flat angles C4'-P-C4' energy: -88.123
flat angles P-C4'-P energy: -55.011
tors. eta vs tors. theta energy: -102.172
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: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1145.166065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.166065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.166065 (E_RNA)
where:
Base-Base interactions energy: -774.045
where: short stacking energy: -330.079
Base-Backbone interact. energy: -1.221
local terms energy: -369.900021
where:
bonds (distance) C4'-P energy: -71.804
bonds (distance) P-C4' energy: -77.510
flat angles C4'-P-C4' energy: -85.447
flat angles P-C4'-P energy: -51.662
tors. eta vs tors. theta energy: -83.478
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: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1073.834200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.834200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.834200 (E_RNA)
where:
Base-Base interactions energy: -716.881
where: short stacking energy: -284.819
Base-Backbone interact. energy: -0.964
local terms energy: -355.989277
where:
bonds (distance) C4'-P energy: -68.682
bonds (distance) P-C4' energy: -68.067
flat angles C4'-P-C4' energy: -74.637
flat angles P-C4'-P energy: -61.632
tors. eta vs tors. theta energy: -82.971
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: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1068.644981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.644981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.644981 (E_RNA)
where:
Base-Base interactions energy: -704.927
where: short stacking energy: -302.316
Base-Backbone interact. energy: -1.416
local terms energy: -362.302012
where:
bonds (distance) C4'-P energy: -71.171
bonds (distance) P-C4' energy: -72.356
flat angles C4'-P-C4' energy: -83.697
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -88.939
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -818.224558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.224558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.224558 (E_RNA)
where:
Base-Base interactions energy: -536.948
where: short stacking energy: -226.284
Base-Backbone interact. energy: -1.204
local terms energy: -280.072476
where:
bonds (distance) C4'-P energy: -60.952
bonds (distance) P-C4' energy: -55.512
flat angles C4'-P-C4' energy: -75.808
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -47.301
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: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -666.609353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.609353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.609353 (E_RNA)
where:
Base-Base interactions energy: -370.780
where: short stacking energy: -175.203
Base-Backbone interact. energy: -1.269
local terms energy: -294.560628
where:
bonds (distance) C4'-P energy: -63.933
bonds (distance) P-C4' energy: -71.333
flat angles C4'-P-C4' energy: -80.063
flat angles P-C4'-P energy: -35.481
tors. eta vs tors. theta energy: -43.750
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: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -333.702237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.702237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.702237 (E_RNA)
where:
Base-Base interactions energy: -110.239
where: short stacking energy: -86.270
Base-Backbone interact. energy: 0.437
local terms energy: -223.900337
where:
bonds (distance) C4'-P energy: -67.780
bonds (distance) P-C4' energy: -72.966
flat angles C4'-P-C4' energy: -69.097
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: 19.910
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: 302
Temperature: 1.350000
Total energy: -313.823017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.823017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.823017 (E_RNA)
where:
Base-Base interactions energy: -109.526
where: short stacking energy: -96.654
Base-Backbone interact. energy: 1.548
local terms energy: -205.844404
where:
bonds (distance) C4'-P energy: -69.022
bonds (distance) P-C4' energy: -56.507
flat angles C4'-P-C4' energy: -65.531
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: 15.705
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: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1388.591238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.591238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.591238 (E_RNA)
where:
Base-Base interactions energy: -957.587
where: short stacking energy: -400.075
Base-Backbone interact. energy: -3.492
local terms energy: -427.512352
where:
bonds (distance) C4'-P energy: -78.901
bonds (distance) P-C4' energy: -80.715
flat angles C4'-P-C4' energy: -88.380
flat angles P-C4'-P energy: -64.011
tors. eta vs tors. theta energy: -115.506
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: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1355.391076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.391076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.391076 (E_RNA)
where:
Base-Base interactions energy: -935.019
where: short stacking energy: -381.402
Base-Backbone interact. energy: -0.115
local terms energy: -420.257008
where:
bonds (distance) C4'-P energy: -71.331
bonds (distance) P-C4' energy: -84.091
flat angles C4'-P-C4' energy: -92.091
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -121.300
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: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1274.730325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.730325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.730325 (E_RNA)
where:
Base-Base interactions energy: -863.620
where: short stacking energy: -358.833
Base-Backbone interact. energy: -0.997
local terms energy: -410.113239
where:
bonds (distance) C4'-P energy: -79.667
bonds (distance) P-C4' energy: -73.407
flat angles C4'-P-C4' energy: -87.495
flat angles P-C4'-P energy: -58.797
tors. eta vs tors. theta energy: -110.748
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: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1177.796355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.796355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.796355 (E_RNA)
where:
Base-Base interactions energy: -788.273
where: short stacking energy: -345.871
Base-Backbone interact. energy: -0.179
local terms energy: -389.345094
where:
bonds (distance) C4'-P energy: -74.311
bonds (distance) P-C4' energy: -78.733
flat angles C4'-P-C4' energy: -79.038
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -97.245
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: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1100.656034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.656034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.656034 (E_RNA)
where:
Base-Base interactions energy: -735.311
where: short stacking energy: -318.040
Base-Backbone interact. energy: -2.856
local terms energy: -362.489316
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -73.996
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -90.129
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: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1055.847472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.847472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.847472 (E_RNA)
where:
Base-Base interactions energy: -716.771
where: short stacking energy: -297.553
Base-Backbone interact. energy: 1.117
local terms energy: -340.193524
where:
bonds (distance) C4'-P energy: -66.639
bonds (distance) P-C4' energy: -58.201
flat angles C4'-P-C4' energy: -75.161
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -90.804
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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -839.647693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.647693 (E_RNA)
where:
Base-Base interactions energy: -553.927
where: short stacking energy: -244.545
Base-Backbone interact. energy: -1.901
local terms energy: -283.819968
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -70.469
flat angles C4'-P-C4' energy: -68.344
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -49.720
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: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -659.785977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.785977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.785977 (E_RNA)
where:
Base-Base interactions energy: -394.542
where: short stacking energy: -175.907
Base-Backbone interact. energy: -1.061
local terms energy: -264.182446
where:
bonds (distance) C4'-P energy: -65.857
bonds (distance) P-C4' energy: -64.853
flat angles C4'-P-C4' energy: -65.479
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -38.674
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: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -355.122674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.122674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.122674 (E_RNA)
where:
Base-Base interactions energy: -135.461
where: short stacking energy: -109.149
Base-Backbone interact. energy: 3.136
local terms energy: -222.797733
where:
bonds (distance) C4'-P energy: -57.007
bonds (distance) P-C4' energy: -74.851
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: -0.692
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: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -318.632463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.632463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.632463 (E_RNA)
where:
Base-Base interactions energy: -102.258
where: short stacking energy: -90.631
Base-Backbone interact. energy: 1.290
local terms energy: -217.663762
where:
bonds (distance) C4'-P energy: -68.041
bonds (distance) P-C4' energy: -71.420
flat angles C4'-P-C4' energy: -47.880
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -2.090
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: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1410.823469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.823469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.823469 (E_RNA)
where:
Base-Base interactions energy: -975.617
where: short stacking energy: -404.212
Base-Backbone interact. energy: 0.348
local terms energy: -435.554041
where:
bonds (distance) C4'-P energy: -85.428
bonds (distance) P-C4' energy: -71.097
flat angles C4'-P-C4' energy: -93.621
flat angles P-C4'-P energy: -68.325
tors. eta vs tors. theta energy: -117.083
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: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1354.322010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.322010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.322010 (E_RNA)
where:
Base-Base interactions energy: -935.873
where: short stacking energy: -383.499
Base-Backbone interact. energy: -2.443
local terms energy: -416.005279
where:
bonds (distance) C4'-P energy: -83.365
bonds (distance) P-C4' energy: -80.026
flat angles C4'-P-C4' energy: -78.305
flat angles P-C4'-P energy: -48.926
tors. eta vs tors. theta energy: -125.383
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: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1292.363507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.363507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.363507 (E_RNA)
where:
Base-Base interactions energy: -876.954
where: short stacking energy: -365.506
Base-Backbone interact. energy: 1.630
local terms energy: -417.039713
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -77.166
flat angles C4'-P-C4' energy: -84.909
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: -109.972
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: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1161.617214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.617214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.617214 (E_RNA)
where:
Base-Base interactions energy: -781.779
where: short stacking energy: -332.238
Base-Backbone interact. energy: -1.855
local terms energy: -377.983161
where:
bonds (distance) C4'-P energy: -68.971
bonds (distance) P-C4' energy: -66.411
flat angles C4'-P-C4' energy: -79.864
flat angles P-C4'-P energy: -63.929
tors. eta vs tors. theta energy: -98.808
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: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1086.909229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.909229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.909229 (E_RNA)
where:
Base-Base interactions energy: -756.456
where: short stacking energy: -271.077
Base-Backbone interact. energy: -1.775
local terms energy: -328.678988
where:
bonds (distance) C4'-P energy: -53.685
bonds (distance) P-C4' energy: -71.221
flat angles C4'-P-C4' energy: -80.725
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -80.592
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: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1052.390443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.390443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.390443 (E_RNA)
where:
Base-Base interactions energy: -680.940
where: short stacking energy: -307.258
Base-Backbone interact. energy: -1.055
local terms energy: -370.395021
where:
bonds (distance) C4'-P energy: -78.179
bonds (distance) P-C4' energy: -72.901
flat angles C4'-P-C4' energy: -79.793
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -89.863
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: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -843.637537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.637537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.637537 (E_RNA)
where:
Base-Base interactions energy: -560.265
where: short stacking energy: -250.945
Base-Backbone interact. energy: 3.784
local terms energy: -287.156350
where:
bonds (distance) C4'-P energy: -57.810
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -70.147
flat angles P-C4'-P energy: -49.782
tors. eta vs tors. theta energy: -51.422
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: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -673.022612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.022612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.022612 (E_RNA)
where:
Base-Base interactions energy: -401.952
where: short stacking energy: -183.921
Base-Backbone interact. energy: 2.350
local terms energy: -273.420506
where:
bonds (distance) C4'-P energy: -60.806
bonds (distance) P-C4' energy: -75.336
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -42.315
tors. eta vs tors. theta energy: -25.237
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -356.437108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.437108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.437108 (E_RNA)
where:
Base-Base interactions energy: -105.243
where: short stacking energy: -86.636
Base-Backbone interact. energy: -0.653
local terms energy: -250.540873
where:
bonds (distance) C4'-P energy: -71.088
bonds (distance) P-C4' energy: -73.719
flat angles C4'-P-C4' energy: -66.956
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -3.758
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: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -307.031241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.031241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.031241 (E_RNA)
where:
Base-Base interactions energy: -108.531
where: short stacking energy: -78.214
Base-Backbone interact. energy: 1.196
local terms energy: -199.696524
where:
bonds (distance) C4'-P energy: -73.649
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -46.599
flat angles P-C4'-P energy: -26.714
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: 305
Temperature: 0.900000
Total energy: -1394.239031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.239031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.239031 (E_RNA)
where:
Base-Base interactions energy: -972.627
where: short stacking energy: -387.080
Base-Backbone interact. energy: -1.973
local terms energy: -419.638924
where:
bonds (distance) C4'-P energy: -65.644
bonds (distance) P-C4' energy: -86.486
flat angles C4'-P-C4' energy: -93.629
flat angles P-C4'-P energy: -62.779
tors. eta vs tors. theta energy: -111.101
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1353.034771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.034771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.034771 (E_RNA)
where:
Base-Base interactions energy: -923.498
where: short stacking energy: -384.177
Base-Backbone interact. energy: -0.701
local terms energy: -428.835201
where:
bonds (distance) C4'-P energy: -72.646
bonds (distance) P-C4' energy: -87.190
flat angles C4'-P-C4' energy: -94.416
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: -126.559
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1288.643454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.643454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.643454 (E_RNA)
where:
Base-Base interactions energy: -878.075
where: short stacking energy: -362.444
Base-Backbone interact. energy: -1.710
local terms energy: -408.858257
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -78.430
flat angles C4'-P-C4' energy: -99.107
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -106.820
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: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1113.162155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.162155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.162155 (E_RNA)
where:
Base-Base interactions energy: -735.155
where: short stacking energy: -324.805
Base-Backbone interact. energy: -4.040
local terms energy: -373.967371
where:
bonds (distance) C4'-P energy: -71.764
bonds (distance) P-C4' energy: -80.712
flat angles C4'-P-C4' energy: -72.481
flat angles P-C4'-P energy: -57.382
tors. eta vs tors. theta energy: -91.628
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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1123.734275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.734275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.734275 (E_RNA)
where:
Base-Base interactions energy: -754.793
where: short stacking energy: -315.990
Base-Backbone interact. energy: -0.668
local terms energy: -368.273703
where:
bonds (distance) C4'-P energy: -58.010
bonds (distance) P-C4' energy: -77.128
flat angles C4'-P-C4' energy: -82.999
flat angles P-C4'-P energy: -57.023
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: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1098.755282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.755282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.755282 (E_RNA)
where:
Base-Base interactions energy: -730.244
where: short stacking energy: -316.556
Base-Backbone interact. energy: -1.842
local terms energy: -366.669083
where:
bonds (distance) C4'-P energy: -79.613
bonds (distance) P-C4' energy: -66.822
flat angles C4'-P-C4' energy: -82.002
flat angles P-C4'-P energy: -46.949
tors. eta vs tors. theta energy: -91.284
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: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -822.403733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.403733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.403733 (E_RNA)
where:
Base-Base interactions energy: -540.397
where: short stacking energy: -233.256
Base-Backbone interact. energy: 0.192
local terms energy: -282.198448
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -61.744
flat angles P-C4'-P energy: -51.680
tors. eta vs tors. theta energy: -56.184
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: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -583.658206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.658206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.658206 (E_RNA)
where:
Base-Base interactions energy: -341.836
where: short stacking energy: -176.752
Base-Backbone interact. energy: 0.598
local terms energy: -242.419887
where:
bonds (distance) C4'-P energy: -64.463
bonds (distance) P-C4' energy: -64.439
flat angles C4'-P-C4' energy: -55.719
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -21.017
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: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -344.136585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.136585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.136585 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -99.377
Base-Backbone interact. energy: 1.718
local terms energy: -230.515756
where:
bonds (distance) C4'-P energy: -75.704
bonds (distance) P-C4' energy: -64.566
flat angles C4'-P-C4' energy: -68.979
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: 13.377
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -307.219692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.219692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.219692 (E_RNA)
where:
Base-Base interactions energy: -112.673
where: short stacking energy: -74.955
Base-Backbone interact. energy: -0.717
local terms energy: -193.829878
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -61.555
flat angles C4'-P-C4' energy: -61.044
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: 16.604
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: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1398.593210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.593210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.593210 (E_RNA)
where:
Base-Base interactions energy: -971.700
where: short stacking energy: -398.925
Base-Backbone interact. energy: -1.738
local terms energy: -425.155386
where:
bonds (distance) C4'-P energy: -82.281
bonds (distance) P-C4' energy: -71.587
flat angles C4'-P-C4' energy: -91.702
flat angles P-C4'-P energy: -64.102
tors. eta vs tors. theta energy: -115.484
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: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1359.268022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.268022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.268022 (E_RNA)
where:
Base-Base interactions energy: -939.159
where: short stacking energy: -381.260
Base-Backbone interact. energy: -1.459
local terms energy: -418.650469
where:
bonds (distance) C4'-P energy: -80.218
bonds (distance) P-C4' energy: -77.209
flat angles C4'-P-C4' energy: -89.884
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -125.537
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: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1296.004443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.004443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.004443 (E_RNA)
where:
Base-Base interactions energy: -900.667
where: short stacking energy: -368.717
Base-Backbone interact. energy: -1.434
local terms energy: -393.903773
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -75.766
flat angles C4'-P-C4' energy: -93.852
flat angles P-C4'-P energy: -52.218
tors. eta vs tors. theta energy: -109.426
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: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1121.101527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.101527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.101527 (E_RNA)
where:
Base-Base interactions energy: -741.808
where: short stacking energy: -304.905
Base-Backbone interact. energy: -1.202
local terms energy: -378.091728
where:
bonds (distance) C4'-P energy: -79.294
bonds (distance) P-C4' energy: -84.157
flat angles C4'-P-C4' energy: -82.023
flat angles P-C4'-P energy: -51.758
tors. eta vs tors. theta energy: -80.860
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: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1139.469626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.469626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.469626 (E_RNA)
where:
Base-Base interactions energy: -760.801
where: short stacking energy: -313.981
Base-Backbone interact. energy: -0.690
local terms energy: -377.978690
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -81.576
flat angles C4'-P-C4' energy: -87.765
flat angles P-C4'-P energy: -55.079
tors. eta vs tors. theta energy: -90.291
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: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1071.312014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.312014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.312014 (E_RNA)
where:
Base-Base interactions energy: -725.674
where: short stacking energy: -286.639
Base-Backbone interact. energy: 2.070
local terms energy: -347.707138
where:
bonds (distance) C4'-P energy: -67.068
bonds (distance) P-C4' energy: -72.229
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -81.818
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: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -804.055956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.055956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.055956 (E_RNA)
where:
Base-Base interactions energy: -486.659
where: short stacking energy: -213.658
Base-Backbone interact. energy: -0.492
local terms energy: -316.905491
where:
bonds (distance) C4'-P energy: -72.800
bonds (distance) P-C4' energy: -72.603
flat angles C4'-P-C4' energy: -70.266
flat angles P-C4'-P energy: -54.830
tors. eta vs tors. theta energy: -46.407
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: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -613.560477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.560477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.560477 (E_RNA)
where:
Base-Base interactions energy: -363.301
where: short stacking energy: -182.284
Base-Backbone interact. energy: 1.697
local terms energy: -251.956339
where:
bonds (distance) C4'-P energy: -64.649
bonds (distance) P-C4' energy: -61.906
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -33.604
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -351.725323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.725323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.725323 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -102.827
Base-Backbone interact. energy: 1.288
local terms energy: -219.132404
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -65.860
flat angles C4'-P-C4' energy: -71.133
flat angles P-C4'-P energy: -18.588
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -304.645244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.645244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.645244 (E_RNA)
where:
Base-Base interactions energy: -102.332
where: short stacking energy: -95.030
Base-Backbone interact. energy: 7.066
local terms energy: -209.378936
where:
bonds (distance) C4'-P energy: -61.273
bonds (distance) P-C4' energy: -77.369
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: 13.591
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: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1386.341897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.341897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.341897 (E_RNA)
where:
Base-Base interactions energy: -955.914
where: short stacking energy: -406.648
Base-Backbone interact. energy: -0.945
local terms energy: -429.482400
where:
bonds (distance) C4'-P energy: -73.960
bonds (distance) P-C4' energy: -80.069
flat angles C4'-P-C4' energy: -97.135
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -120.992
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: 307
Temperature: 0.950000
Total energy: -1364.017866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.017866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.017866 (E_RNA)
where:
Base-Base interactions energy: -940.845
where: short stacking energy: -379.625
Base-Backbone interact. energy: 4.891
local terms energy: -428.063048
where:
bonds (distance) C4'-P energy: -78.080
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -91.806
flat angles P-C4'-P energy: -62.856
tors. eta vs tors. theta energy: -123.071
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: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1291.059136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.059136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.059136 (E_RNA)
where:
Base-Base interactions energy: -880.490
where: short stacking energy: -363.050
Base-Backbone interact. energy: -1.517
local terms energy: -409.051175
where:
bonds (distance) C4'-P energy: -79.989
bonds (distance) P-C4' energy: -76.419
flat angles C4'-P-C4' energy: -89.998
flat angles P-C4'-P energy: -55.718
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: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1165.922876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.922876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.922876 (E_RNA)
where:
Base-Base interactions energy: -823.205
where: short stacking energy: -318.292
Base-Backbone interact. energy: -3.628
local terms energy: -339.089998
where:
bonds (distance) C4'-P energy: -60.954
bonds (distance) P-C4' energy: -63.420
flat angles C4'-P-C4' energy: -75.664
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -94.701
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1162.255786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.255786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.255786 (E_RNA)
where:
Base-Base interactions energy: -783.461
where: short stacking energy: -332.390
Base-Backbone interact. energy: -3.375
local terms energy: -375.420057
where:
bonds (distance) C4'-P energy: -72.216
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -83.199
flat angles P-C4'-P energy: -53.514
tors. eta vs tors. theta energy: -95.031
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: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1130.468567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.468567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.468567 (E_RNA)
where:
Base-Base interactions energy: -775.622
where: short stacking energy: -326.376
Base-Backbone interact. energy: 0.392
local terms energy: -355.238097
where:
bonds (distance) C4'-P energy: -65.185
bonds (distance) P-C4' energy: -67.170
flat angles C4'-P-C4' energy: -76.912
flat angles P-C4'-P energy: -46.409
tors. eta vs tors. theta energy: -99.563
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: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -832.034374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.034374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.034374 (E_RNA)
where:
Base-Base interactions energy: -518.409
where: short stacking energy: -234.379
Base-Backbone interact. energy: -2.886
local terms energy: -310.739261
where:
bonds (distance) C4'-P energy: -56.901
bonds (distance) P-C4' energy: -71.166
flat angles C4'-P-C4' energy: -79.649
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -57.957
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: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -624.083251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.083251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.083251 (E_RNA)
where:
Base-Base interactions energy: -377.572
where: short stacking energy: -160.989
Base-Backbone interact. energy: -2.635
local terms energy: -243.876640
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -72.915
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -15.615
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: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -392.498218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.498218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.498218 (E_RNA)
where:
Base-Base interactions energy: -149.967
where: short stacking energy: -83.525
Base-Backbone interact. energy: -0.876
local terms energy: -241.654898
where:
bonds (distance) C4'-P energy: -69.934
bonds (distance) P-C4' energy: -77.025
flat angles C4'-P-C4' energy: -58.223
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: 0.629
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: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -308.963938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.963938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.963938 (E_RNA)
where:
Base-Base interactions energy: -121.383
where: short stacking energy: -105.804
Base-Backbone interact. energy: 0.976
local terms energy: -188.557329
where:
bonds (distance) C4'-P energy: -60.220
bonds (distance) P-C4' energy: -81.466
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -0.265
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: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1403.688724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.688724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.688724 (E_RNA)
where:
Base-Base interactions energy: -949.495
where: short stacking energy: -394.736
Base-Backbone interact. energy: -0.505
local terms energy: -453.688379
where:
bonds (distance) C4'-P energy: -82.346
bonds (distance) P-C4' energy: -79.556
flat angles C4'-P-C4' energy: -96.823
flat angles P-C4'-P energy: -59.644
tors. eta vs tors. theta energy: -135.319
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: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1366.300047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.300047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.300047 (E_RNA)
where:
Base-Base interactions energy: -934.979
where: short stacking energy: -379.912
Base-Backbone interact. energy: -2.421
local terms energy: -428.899545
where:
bonds (distance) C4'-P energy: -84.485
bonds (distance) P-C4' energy: -81.555
flat angles C4'-P-C4' energy: -88.922
flat angles P-C4'-P energy: -60.330
tors. eta vs tors. theta energy: -113.607
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: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1305.705764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.705764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.705764 (E_RNA)
where:
Base-Base interactions energy: -902.406
where: short stacking energy: -381.155
Base-Backbone interact. energy: 1.841
local terms energy: -405.140502
where:
bonds (distance) C4'-P energy: -79.788
bonds (distance) P-C4' energy: -74.363
flat angles C4'-P-C4' energy: -85.569
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -112.388
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: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1162.254363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.254363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.254363 (E_RNA)
where:
Base-Base interactions energy: -781.143
where: short stacking energy: -337.045
Base-Backbone interact. energy: -2.725
local terms energy: -378.386876
where:
bonds (distance) C4'-P energy: -75.643
bonds (distance) P-C4' energy: -72.319
flat angles C4'-P-C4' energy: -78.053
flat angles P-C4'-P energy: -57.384
tors. eta vs tors. theta energy: -94.988
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: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1128.438602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.438602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.438602 (E_RNA)
where:
Base-Base interactions energy: -742.627
where: short stacking energy: -307.199
Base-Backbone interact. energy: -2.254
local terms energy: -383.557438
where:
bonds (distance) C4'-P energy: -75.991
bonds (distance) P-C4' energy: -64.753
flat angles C4'-P-C4' energy: -87.632
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -108.040
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1099.299762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.299762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.299762 (E_RNA)
where:
Base-Base interactions energy: -770.127
where: short stacking energy: -322.241
Base-Backbone interact. energy: -2.090
local terms energy: -327.082497
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -63.603
flat angles C4'-P-C4' energy: -70.297
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -86.296
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: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -918.474336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.474336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.474336 (E_RNA)
where:
Base-Base interactions energy: -584.718
where: short stacking energy: -255.778
Base-Backbone interact. energy: 0.061
local terms energy: -333.817932
where:
bonds (distance) C4'-P energy: -79.634
bonds (distance) P-C4' energy: -62.733
flat angles C4'-P-C4' energy: -70.411
flat angles P-C4'-P energy: -49.254
tors. eta vs tors. theta energy: -71.786
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: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -626.151106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.151106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.151106 (E_RNA)
where:
Base-Base interactions energy: -380.700
where: short stacking energy: -177.707
Base-Backbone interact. energy: -2.383
local terms energy: -243.068882
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -56.542
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -31.692
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: 308
Temperature: 1.300000
Total energy: -368.059856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.059856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.059856 (E_RNA)
where:
Base-Base interactions energy: -143.305
where: short stacking energy: -104.777
Base-Backbone interact. energy: 0.548
local terms energy: -225.302825
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -75.796
flat angles C4'-P-C4' energy: -58.297
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: 0.801
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: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -299.627473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.627473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.627473 (E_RNA)
where:
Base-Base interactions energy: -92.199
where: short stacking energy: -70.465
Base-Backbone interact. energy: 0.806
local terms energy: -208.234422
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: 21.002
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: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1398.246848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.246848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.246848 (E_RNA)
where:
Base-Base interactions energy: -954.161
where: short stacking energy: -396.401
Base-Backbone interact. energy: -0.198
local terms energy: -443.888004
where:
bonds (distance) C4'-P energy: -74.062
bonds (distance) P-C4' energy: -86.787
flat angles C4'-P-C4' energy: -92.015
flat angles P-C4'-P energy: -60.060
tors. eta vs tors. theta energy: -130.964
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: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1342.946323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.946323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.946323 (E_RNA)
where:
Base-Base interactions energy: -910.984
where: short stacking energy: -371.435
Base-Backbone interact. energy: -4.233
local terms energy: -427.729202
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -81.558
flat angles C4'-P-C4' energy: -84.242
flat angles P-C4'-P energy: -55.051
tors. eta vs tors. theta energy: -116.966
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: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1306.729892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.729892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.729892 (E_RNA)
where:
Base-Base interactions energy: -909.708
where: short stacking energy: -378.545
Base-Backbone interact. energy: 0.234
local terms energy: -397.255790
where:
bonds (distance) C4'-P energy: -77.828
bonds (distance) P-C4' energy: -69.334
flat angles C4'-P-C4' energy: -91.913
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: -105.892
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: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1167.714618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.714618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.714618 (E_RNA)
where:
Base-Base interactions energy: -776.407
where: short stacking energy: -311.893
Base-Backbone interact. energy: -3.109
local terms energy: -388.198480
where:
bonds (distance) C4'-P energy: -70.286
bonds (distance) P-C4' energy: -77.241
flat angles C4'-P-C4' energy: -83.794
flat angles P-C4'-P energy: -63.966
tors. eta vs tors. theta energy: -92.912
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: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1102.409184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.409184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.409184 (E_RNA)
where:
Base-Base interactions energy: -758.211
where: short stacking energy: -301.443
Base-Backbone interact. energy: 2.802
local terms energy: -347.000858
where:
bonds (distance) C4'-P energy: -76.122
bonds (distance) P-C4' energy: -67.612
flat angles C4'-P-C4' energy: -71.866
flat angles P-C4'-P energy: -45.422
tors. eta vs tors. theta energy: -85.979
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: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1090.737570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.737570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.737570 (E_RNA)
where:
Base-Base interactions energy: -743.905
where: short stacking energy: -309.270
Base-Backbone interact. energy: -3.030
local terms energy: -343.802517
where:
bonds (distance) C4'-P energy: -68.754
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -83.581
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: -87.164
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: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -916.707605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.707605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.707605 (E_RNA)
where:
Base-Base interactions energy: -599.275
where: short stacking energy: -234.355
Base-Backbone interact. energy: -0.758
local terms energy: -316.674405
where:
bonds (distance) C4'-P energy: -69.537
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -71.218
flat angles P-C4'-P energy: -46.035
tors. eta vs tors. theta energy: -64.938
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: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -624.645742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.645742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.645742 (E_RNA)
where:
Base-Base interactions energy: -353.558
where: short stacking energy: -180.243
Base-Backbone interact. energy: -0.825
local terms energy: -270.262333
where:
bonds (distance) C4'-P energy: -68.459
bonds (distance) P-C4' energy: -73.299
flat angles C4'-P-C4' energy: -57.630
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -28.324
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -371.537687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.537687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.537687 (E_RNA)
where:
Base-Base interactions energy: -158.295
where: short stacking energy: -106.984
Base-Backbone interact. energy: -3.767
local terms energy: -209.476148
where:
bonds (distance) C4'-P energy: -57.740
bonds (distance) P-C4' energy: -69.315
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -30.274
tors. eta vs tors. theta energy: 6.418
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: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -302.272464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.272464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.272464 (E_RNA)
where:
Base-Base interactions energy: -104.291
where: short stacking energy: -85.251
Base-Backbone interact. energy: 1.146
local terms energy: -199.127196
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -48.987
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: 19.479
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: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1408.950705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.950705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.950705 (E_RNA)
where:
Base-Base interactions energy: -961.157
where: short stacking energy: -415.664
Base-Backbone interact. energy: 1.792
local terms energy: -449.585461
where:
bonds (distance) C4'-P energy: -72.436
bonds (distance) P-C4' energy: -80.862
flat angles C4'-P-C4' energy: -94.295
flat angles P-C4'-P energy: -65.579
tors. eta vs tors. theta energy: -136.414
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: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1328.648077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.648077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.648077 (E_RNA)
where:
Base-Base interactions energy: -915.361
where: short stacking energy: -371.633
Base-Backbone interact. energy: -2.368
local terms energy: -410.918397
where:
bonds (distance) C4'-P energy: -76.636
bonds (distance) P-C4' energy: -81.678
flat angles C4'-P-C4' energy: -92.191
flat angles P-C4'-P energy: -51.391
tors. eta vs tors. theta energy: -109.023
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: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1304.702162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.702162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.702162 (E_RNA)
where:
Base-Base interactions energy: -905.723
where: short stacking energy: -385.200
Base-Backbone interact. energy: -1.096
local terms energy: -397.883750
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -79.411
flat angles C4'-P-C4' energy: -93.644
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -109.881
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1223.906980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.906980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.906980 (E_RNA)
where:
Base-Base interactions energy: -817.004
where: short stacking energy: -325.025
Base-Backbone interact. energy: -2.433
local terms energy: -404.470061
where:
bonds (distance) C4'-P energy: -78.316
bonds (distance) P-C4' energy: -80.061
flat angles C4'-P-C4' energy: -85.729
flat angles P-C4'-P energy: -55.062
tors. eta vs tors. theta energy: -105.301
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: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1153.402176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.402176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.402176 (E_RNA)
where:
Base-Base interactions energy: -772.279
where: short stacking energy: -315.466
Base-Backbone interact. energy: 1.897
local terms energy: -383.020033
where:
bonds (distance) C4'-P energy: -64.511
bonds (distance) P-C4' energy: -77.692
flat angles C4'-P-C4' energy: -91.078
flat angles P-C4'-P energy: -57.072
tors. eta vs tors. theta energy: -92.667
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: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1066.980559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.980559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.980559 (E_RNA)
where:
Base-Base interactions energy: -724.765
where: short stacking energy: -316.448
Base-Backbone interact. energy: 0.625
local terms energy: -342.840757
where:
bonds (distance) C4'-P energy: -53.483
bonds (distance) P-C4' energy: -80.571
flat angles C4'-P-C4' energy: -78.687
flat angles P-C4'-P energy: -52.465
tors. eta vs tors. theta energy: -77.635
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: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -953.601997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.601997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.601997 (E_RNA)
where:
Base-Base interactions energy: -624.221
where: short stacking energy: -275.324
Base-Backbone interact. energy: 0.944
local terms energy: -330.325087
where:
bonds (distance) C4'-P energy: -64.075
bonds (distance) P-C4' energy: -69.371
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -54.630
tors. eta vs tors. theta energy: -78.308
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: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -684.990234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.990234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.990234 (E_RNA)
where:
Base-Base interactions energy: -435.553
where: short stacking energy: -166.492
Base-Backbone interact. energy: -3.482
local terms energy: -245.954541
where:
bonds (distance) C4'-P energy: -53.321
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -66.261
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -24.115
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -325.564066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.564066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.564066 (E_RNA)
where:
Base-Base interactions energy: -107.835
where: short stacking energy: -100.829
Base-Backbone interact. energy: -1.173
local terms energy: -216.556140
where:
bonds (distance) C4'-P energy: -72.365
bonds (distance) P-C4' energy: -71.106
flat angles C4'-P-C4' energy: -67.529
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: 21.960
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -309.415486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.415486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.415486 (E_RNA)
where:
Base-Base interactions energy: -105.412
where: short stacking energy: -76.356
Base-Backbone interact. energy: -2.424
local terms energy: -201.579538
where:
bonds (distance) C4'-P energy: -58.884
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -54.034
flat angles P-C4'-P energy: -31.576
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: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1390.735273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.735273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.735273 (E_RNA)
where:
Base-Base interactions energy: -952.669
where: short stacking energy: -407.054
Base-Backbone interact. energy: -2.105
local terms energy: -435.961251
where:
bonds (distance) C4'-P energy: -68.999
bonds (distance) P-C4' energy: -70.731
flat angles C4'-P-C4' energy: -101.341
flat angles P-C4'-P energy: -64.479
tors. eta vs tors. theta energy: -130.412
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: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1337.716761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.716761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.716761 (E_RNA)
where:
Base-Base interactions energy: -916.412
where: short stacking energy: -381.978
Base-Backbone interact. energy: -1.865
local terms energy: -419.439977
where:
bonds (distance) C4'-P energy: -71.503
bonds (distance) P-C4' energy: -83.679
flat angles C4'-P-C4' energy: -87.721
flat angles P-C4'-P energy: -57.913
tors. eta vs tors. theta energy: -118.624
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: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1318.284727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.284727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.284727 (E_RNA)
where:
Base-Base interactions energy: -911.096
where: short stacking energy: -375.967
Base-Backbone interact. energy: -4.594
local terms energy: -402.594581
where:
bonds (distance) C4'-P energy: -74.140
bonds (distance) P-C4' energy: -81.546
flat angles C4'-P-C4' energy: -88.233
flat angles P-C4'-P energy: -52.033
tors. eta vs tors. theta energy: -106.643
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: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1199.349800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.349800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.349800 (E_RNA)
where:
Base-Base interactions energy: -830.685
where: short stacking energy: -347.981
Base-Backbone interact. energy: -0.916
local terms energy: -367.749178
where:
bonds (distance) C4'-P energy: -74.309
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -79.501
flat angles P-C4'-P energy: -56.030
tors. eta vs tors. theta energy: -98.695
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: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1116.045872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.045872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.045872 (E_RNA)
where:
Base-Base interactions energy: -757.156
where: short stacking energy: -334.777
Base-Backbone interact. energy: -0.001
local terms energy: -358.888389
where:
bonds (distance) C4'-P energy: -64.935
bonds (distance) P-C4' energy: -74.161
flat angles C4'-P-C4' energy: -79.211
flat angles P-C4'-P energy: -51.162
tors. eta vs tors. theta energy: -89.419
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: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1058.757617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.757617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.757617 (E_RNA)
where:
Base-Base interactions energy: -717.865
where: short stacking energy: -299.406
Base-Backbone interact. energy: -1.992
local terms energy: -338.900639
where:
bonds (distance) C4'-P energy: -72.091
bonds (distance) P-C4' energy: -63.807
flat angles C4'-P-C4' energy: -79.267
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -76.809
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: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -966.157245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.157245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.157245 (E_RNA)
where:
Base-Base interactions energy: -637.610
where: short stacking energy: -288.350
Base-Backbone interact. energy: 1.542
local terms energy: -330.089386
where:
bonds (distance) C4'-P energy: -66.496
bonds (distance) P-C4' energy: -60.881
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -47.180
tors. eta vs tors. theta energy: -93.183
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: 311
Temperature: 1.250000
Total energy: -686.975816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.975816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.975816 (E_RNA)
where:
Base-Base interactions energy: -410.738
where: short stacking energy: -185.515
Base-Backbone interact. energy: -1.509
local terms energy: -274.729567
where:
bonds (distance) C4'-P energy: -76.389
bonds (distance) P-C4' energy: -69.639
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -24.058
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -350.205634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.205634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.205634 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -102.620
Base-Backbone interact. energy: 0.806
local terms energy: -201.772926
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -57.589
flat angles C4'-P-C4' energy: -63.069
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: 7.111
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -314.146403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.146403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.146403 (E_RNA)
where:
Base-Base interactions energy: -94.751
where: short stacking energy: -57.177
Base-Backbone interact. energy: 1.163
local terms energy: -220.559322
where:
bonds (distance) C4'-P energy: -69.463
bonds (distance) P-C4' energy: -75.448
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: 22.559
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: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1411.546469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.546469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.546469 (E_RNA)
where:
Base-Base interactions energy: -962.251
where: short stacking energy: -399.200
Base-Backbone interact. energy: -1.118
local terms energy: -448.177608
where:
bonds (distance) C4'-P energy: -92.145
bonds (distance) P-C4' energy: -74.113
flat angles C4'-P-C4' energy: -93.923
flat angles P-C4'-P energy: -54.668
tors. eta vs tors. theta energy: -133.329
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: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1327.227086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.227086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.227086 (E_RNA)
where:
Base-Base interactions energy: -901.015
where: short stacking energy: -362.602
Base-Backbone interact. energy: -1.693
local terms energy: -424.519190
where:
bonds (distance) C4'-P energy: -81.550
bonds (distance) P-C4' energy: -81.016
flat angles C4'-P-C4' energy: -92.712
flat angles P-C4'-P energy: -59.863
tors. eta vs tors. theta energy: -109.377
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: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1300.673230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.673230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.673230 (E_RNA)
where:
Base-Base interactions energy: -902.569
where: short stacking energy: -366.379
Base-Backbone interact. energy: -1.482
local terms energy: -396.622025
where:
bonds (distance) C4'-P energy: -73.928
bonds (distance) P-C4' energy: -77.513
flat angles C4'-P-C4' energy: -68.946
flat angles P-C4'-P energy: -63.955
tors. eta vs tors. theta energy: -112.279
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: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1197.307572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.307572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.307572 (E_RNA)
where:
Base-Base interactions energy: -814.264
where: short stacking energy: -343.246
Base-Backbone interact. energy: 3.772
local terms energy: -386.815458
where:
bonds (distance) C4'-P energy: -73.902
bonds (distance) P-C4' energy: -73.204
flat angles C4'-P-C4' energy: -89.978
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -97.388
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: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1155.969898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.969898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.969898 (E_RNA)
where:
Base-Base interactions energy: -783.543
where: short stacking energy: -329.078
Base-Backbone interact. energy: 0.341
local terms energy: -372.767943
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -62.678
flat angles C4'-P-C4' energy: -82.600
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -98.417
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: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1039.242336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.242336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.242336 (E_RNA)
where:
Base-Base interactions energy: -678.904
where: short stacking energy: -295.903
Base-Backbone interact. energy: -2.220
local terms energy: -358.118011
where:
bonds (distance) C4'-P energy: -74.589
bonds (distance) P-C4' energy: -78.368
flat angles C4'-P-C4' energy: -79.231
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -78.005
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: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1000.181752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.181752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.181752 (E_RNA)
where:
Base-Base interactions energy: -642.342
where: short stacking energy: -286.257
Base-Backbone interact. energy: -1.157
local terms energy: -356.683358
where:
bonds (distance) C4'-P energy: -75.026
bonds (distance) P-C4' energy: -70.438
flat angles C4'-P-C4' energy: -75.018
flat angles P-C4'-P energy: -49.394
tors. eta vs tors. theta energy: -86.808
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: 312
Temperature: 1.250000
Total energy: -743.311405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.311405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.311405 (E_RNA)
where:
Base-Base interactions energy: -460.389
where: short stacking energy: -200.191
Base-Backbone interact. energy: -3.098
local terms energy: -279.824325
where:
bonds (distance) C4'-P energy: -58.487
bonds (distance) P-C4' energy: -68.562
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -40.449
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: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -411.000596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.000596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.000596 (E_RNA)
where:
Base-Base interactions energy: -183.011
where: short stacking energy: -94.849
Base-Backbone interact. energy: -1.156
local terms energy: -226.833548
where:
bonds (distance) C4'-P energy: -67.439
bonds (distance) P-C4' energy: -74.744
flat angles C4'-P-C4' energy: -54.875
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: 8.611
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: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -329.194482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.194482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.194482 (E_RNA)
where:
Base-Base interactions energy: -129.371
where: short stacking energy: -90.912
Base-Backbone interact. energy: -2.775
local terms energy: -197.048309
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -72.566
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: 21.959
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: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1388.644807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.644807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.644807 (E_RNA)
where:
Base-Base interactions energy: -954.231
where: short stacking energy: -401.037
Base-Backbone interact. energy: 1.992
local terms energy: -436.405922
where:
bonds (distance) C4'-P energy: -84.375
bonds (distance) P-C4' energy: -75.119
flat angles C4'-P-C4' energy: -86.531
flat angles P-C4'-P energy: -63.094
tors. eta vs tors. theta energy: -127.286
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1333.302459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.302459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.302459 (E_RNA)
where:
Base-Base interactions energy: -923.085
where: short stacking energy: -367.913
Base-Backbone interact. energy: 2.316
local terms energy: -412.533446
where:
bonds (distance) C4'-P energy: -79.741
bonds (distance) P-C4' energy: -76.844
flat angles C4'-P-C4' energy: -97.042
flat angles P-C4'-P energy: -59.315
tors. eta vs tors. theta energy: -99.591
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: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1293.575376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.575376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.575376 (E_RNA)
where:
Base-Base interactions energy: -891.305
where: short stacking energy: -360.689
Base-Backbone interact. energy: 1.284
local terms energy: -403.554463
where:
bonds (distance) C4'-P energy: -66.999
bonds (distance) P-C4' energy: -77.572
flat angles C4'-P-C4' energy: -90.501
flat angles P-C4'-P energy: -58.880
tors. eta vs tors. theta energy: -109.603
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: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1156.830594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.830594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.830594 (E_RNA)
where:
Base-Base interactions energy: -785.285
where: short stacking energy: -321.106
Base-Backbone interact. energy: 0.319
local terms energy: -371.864829
where:
bonds (distance) C4'-P energy: -77.074
bonds (distance) P-C4' energy: -75.479
flat angles C4'-P-C4' energy: -72.416
flat angles P-C4'-P energy: -52.756
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1172.516394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.516394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.516394 (E_RNA)
where:
Base-Base interactions energy: -801.982
where: short stacking energy: -310.124
Base-Backbone interact. energy: -0.454
local terms energy: -370.080139
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -83.317
flat angles C4'-P-C4' energy: -74.120
flat angles P-C4'-P energy: -46.772
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: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1017.277155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.277155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.277155 (E_RNA)
where:
Base-Base interactions energy: -684.823
where: short stacking energy: -305.271
Base-Backbone interact. energy: -1.098
local terms energy: -331.356643
where:
bonds (distance) C4'-P energy: -59.167
bonds (distance) P-C4' energy: -66.430
flat angles C4'-P-C4' energy: -79.181
flat angles P-C4'-P energy: -36.156
tors. eta vs tors. theta energy: -90.423
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: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1018.261930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.261930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.261930 (E_RNA)
where:
Base-Base interactions energy: -653.364
where: short stacking energy: -278.575
Base-Backbone interact. energy: 0.298
local terms energy: -365.195772
where:
bonds (distance) C4'-P energy: -69.961
bonds (distance) P-C4' energy: -73.179
flat angles C4'-P-C4' energy: -85.440
flat angles P-C4'-P energy: -50.135
tors. eta vs tors. theta energy: -86.481
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: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -728.846645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.846645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.846645 (E_RNA)
where:
Base-Base interactions energy: -450.500
where: short stacking energy: -204.068
Base-Backbone interact. energy: 1.933
local terms energy: -280.279884
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -73.971
flat angles C4'-P-C4' energy: -59.145
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -41.663
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: 313
Temperature: 1.300000
Total energy: -422.352223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.352223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.352223 (E_RNA)
where:
Base-Base interactions energy: -184.948
where: short stacking energy: -117.983
Base-Backbone interact. energy: -0.258
local terms energy: -237.145680
where:
bonds (distance) C4'-P energy: -67.185
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -70.045
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -0.662
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: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -336.013918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.013918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.013918 (E_RNA)
where:
Base-Base interactions energy: -130.587
where: short stacking energy: -87.347
Base-Backbone interact. energy: -1.107
local terms energy: -204.319919
where:
bonds (distance) C4'-P energy: -70.769
bonds (distance) P-C4' energy: -69.326
flat angles C4'-P-C4' energy: -52.321
flat angles P-C4'-P energy: -29.764
tors. eta vs tors. theta energy: 17.861
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: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1394.867751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.867751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.867751 (E_RNA)
where:
Base-Base interactions energy: -958.102
where: short stacking energy: -410.512
Base-Backbone interact. energy: -0.662
local terms energy: -436.104025
where:
bonds (distance) C4'-P energy: -75.821
bonds (distance) P-C4' energy: -87.519
flat angles C4'-P-C4' energy: -88.737
flat angles P-C4'-P energy: -55.777
tors. eta vs tors. theta energy: -128.251
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: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1334.324891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.324891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.324891 (E_RNA)
where:
Base-Base interactions energy: -908.880
where: short stacking energy: -365.238
Base-Backbone interact. energy: 0.044
local terms energy: -425.488997
where:
bonds (distance) C4'-P energy: -74.093
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -81.490
flat angles P-C4'-P energy: -73.805
tors. eta vs tors. theta energy: -110.048
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: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1295.782274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.782274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.782274 (E_RNA)
where:
Base-Base interactions energy: -882.811
where: short stacking energy: -355.263
Base-Backbone interact. energy: -1.571
local terms energy: -411.400422
where:
bonds (distance) C4'-P energy: -78.510
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -80.034
flat angles P-C4'-P energy: -63.639
tors. eta vs tors. theta energy: -110.040
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: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1183.616454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.616454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.616454 (E_RNA)
where:
Base-Base interactions energy: -784.737
where: short stacking energy: -326.620
Base-Backbone interact. energy: -1.355
local terms energy: -397.524626
where:
bonds (distance) C4'-P energy: -71.656
bonds (distance) P-C4' energy: -80.293
flat angles C4'-P-C4' energy: -83.004
flat angles P-C4'-P energy: -58.832
tors. eta vs tors. theta energy: -103.740
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1198.632705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.632705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.632705 (E_RNA)
where:
Base-Base interactions energy: -822.912
where: short stacking energy: -344.588
Base-Backbone interact. energy: -1.870
local terms energy: -373.850429
where:
bonds (distance) C4'-P energy: -68.399
bonds (distance) P-C4' energy: -63.171
flat angles C4'-P-C4' energy: -84.040
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -106.924
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: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1025.184151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.184151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.184151 (E_RNA)
where:
Base-Base interactions energy: -643.993
where: short stacking energy: -274.419
Base-Backbone interact. energy: -0.089
local terms energy: -381.102619
where:
bonds (distance) C4'-P energy: -75.239
bonds (distance) P-C4' energy: -76.589
flat angles C4'-P-C4' energy: -89.768
flat angles P-C4'-P energy: -57.877
tors. eta vs tors. theta energy: -81.631
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: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1006.804977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.804977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.804977 (E_RNA)
where:
Base-Base interactions energy: -668.758
where: short stacking energy: -277.176
Base-Backbone interact. energy: 0.988
local terms energy: -339.034901
where:
bonds (distance) C4'-P energy: -68.433
bonds (distance) P-C4' energy: -76.281
flat angles C4'-P-C4' energy: -80.008
flat angles P-C4'-P energy: -43.196
tors. eta vs tors. theta energy: -71.116
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: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -716.488113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.488113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.488113 (E_RNA)
where:
Base-Base interactions energy: -441.453
where: short stacking energy: -215.481
Base-Backbone interact. energy: 1.838
local terms energy: -276.873349
where:
bonds (distance) C4'-P energy: -55.986
bonds (distance) P-C4' energy: -56.413
flat angles C4'-P-C4' energy: -70.334
flat angles P-C4'-P energy: -52.983
tors. eta vs tors. theta energy: -41.158
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: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -423.242415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.242415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.242415 (E_RNA)
where:
Base-Base interactions energy: -206.200
where: short stacking energy: -121.801
Base-Backbone interact. energy: -2.382
local terms energy: -214.659940
where:
bonds (distance) C4'-P energy: -54.236
bonds (distance) P-C4' energy: -66.204
flat angles C4'-P-C4' energy: -56.299
flat angles P-C4'-P energy: -37.410
tors. eta vs tors. theta energy: -0.511
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: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -314.817421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.817421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.817421 (E_RNA)
where:
Base-Base interactions energy: -102.512
where: short stacking energy: -78.788
Base-Backbone interact. energy: -2.277
local terms energy: -210.029132
where:
bonds (distance) C4'-P energy: -80.640
bonds (distance) P-C4' energy: -70.329
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: 35.352
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: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1386.139074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.139074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.139074 (E_RNA)
where:
Base-Base interactions energy: -956.392
where: short stacking energy: -390.321
Base-Backbone interact. energy: -1.432
local terms energy: -428.315161
where:
bonds (distance) C4'-P energy: -76.741
bonds (distance) P-C4' energy: -83.319
flat angles C4'-P-C4' energy: -89.919
flat angles P-C4'-P energy: -54.366
tors. eta vs tors. theta energy: -123.969
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: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1343.985995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.985995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.985995 (E_RNA)
where:
Base-Base interactions energy: -924.709
where: short stacking energy: -372.038
Base-Backbone interact. energy: -0.219
local terms energy: -419.058235
where:
bonds (distance) C4'-P energy: -80.166
bonds (distance) P-C4' energy: -77.509
flat angles C4'-P-C4' energy: -89.329
flat angles P-C4'-P energy: -67.010
tors. eta vs tors. theta energy: -105.045
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: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1310.494070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.494070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.494070 (E_RNA)
where:
Base-Base interactions energy: -885.725
where: short stacking energy: -368.759
Base-Backbone interact. energy: -2.422
local terms energy: -422.347138
where:
bonds (distance) C4'-P energy: -83.613
bonds (distance) P-C4' energy: -74.640
flat angles C4'-P-C4' energy: -87.842
flat angles P-C4'-P energy: -62.481
tors. eta vs tors. theta energy: -113.772
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: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1198.846713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.846713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.846713 (E_RNA)
where:
Base-Base interactions energy: -815.906
where: short stacking energy: -317.998
Base-Backbone interact. energy: -1.680
local terms energy: -381.260757
where:
bonds (distance) C4'-P energy: -74.355
bonds (distance) P-C4' energy: -70.764
flat angles C4'-P-C4' energy: -80.430
flat angles P-C4'-P energy: -59.101
tors. eta vs tors. theta energy: -96.611
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: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1139.207403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.207403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.207403 (E_RNA)
where:
Base-Base interactions energy: -772.353
where: short stacking energy: -323.601
Base-Backbone interact. energy: -3.132
local terms energy: -363.722222
where:
bonds (distance) C4'-P energy: -67.898
bonds (distance) P-C4' energy: -72.912
flat angles C4'-P-C4' energy: -77.655
flat angles P-C4'-P energy: -42.899
tors. eta vs tors. theta energy: -102.358
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: 315
Temperature: 1.150000
Total energy: -992.268745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.268745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.268745 (E_RNA)
where:
Base-Base interactions energy: -666.644
where: short stacking energy: -291.849
Base-Backbone interact. energy: -0.934
local terms energy: -324.690832
where:
bonds (distance) C4'-P energy: -60.668
bonds (distance) P-C4' energy: -59.717
flat angles C4'-P-C4' energy: -73.577
flat angles P-C4'-P energy: -47.885
tors. eta vs tors. theta energy: -82.844
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: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -982.849042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.849042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.849042 (E_RNA)
where:
Base-Base interactions energy: -652.337
where: short stacking energy: -280.559
Base-Backbone interact. energy: -0.405
local terms energy: -330.107052
where:
bonds (distance) C4'-P energy: -78.922
bonds (distance) P-C4' energy: -64.506
flat angles C4'-P-C4' energy: -69.516
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -80.804
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: 315
Temperature: 1.250000
Total energy: -745.695110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.695110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.695110 (E_RNA)
where:
Base-Base interactions energy: -465.016
where: short stacking energy: -200.714
Base-Backbone interact. energy: 1.916
local terms energy: -282.595067
where:
bonds (distance) C4'-P energy: -63.740
bonds (distance) P-C4' energy: -67.988
flat angles C4'-P-C4' energy: -71.146
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -39.178
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: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -428.690327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.690327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.690327 (E_RNA)
where:
Base-Base interactions energy: -199.177
where: short stacking energy: -114.387
Base-Backbone interact. energy: -0.719
local terms energy: -228.794986
where:
bonds (distance) C4'-P energy: -69.287
bonds (distance) P-C4' energy: -71.621
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -1.102
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: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -324.742431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.742431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.742431 (E_RNA)
where:
Base-Base interactions energy: -111.353
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.361
local terms energy: -213.028428
where:
bonds (distance) C4'-P energy: -78.045
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: 9.329
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: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1389.124467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.124467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.124467 (E_RNA)
where:
Base-Base interactions energy: -955.016
where: short stacking energy: -386.218
Base-Backbone interact. energy: -1.323
local terms energy: -432.785803
where:
bonds (distance) C4'-P energy: -78.070
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -91.076
flat angles P-C4'-P energy: -58.764
tors. eta vs tors. theta energy: -121.825
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1334.740302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.740302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.740302 (E_RNA)
where:
Base-Base interactions energy: -914.336
where: short stacking energy: -373.508
Base-Backbone interact. energy: -3.884
local terms energy: -416.520011
where:
bonds (distance) C4'-P energy: -84.277
bonds (distance) P-C4' energy: -64.571
flat angles C4'-P-C4' energy: -89.805
flat angles P-C4'-P energy: -62.781
tors. eta vs tors. theta energy: -115.086
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: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1302.431753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.431753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.431753 (E_RNA)
where:
Base-Base interactions energy: -895.301
where: short stacking energy: -379.080
Base-Backbone interact. energy: -0.267
local terms energy: -406.864318
where:
bonds (distance) C4'-P energy: -78.737
bonds (distance) P-C4' energy: -73.579
flat angles C4'-P-C4' energy: -89.004
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -112.783
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1228.648958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.648958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.648958 (E_RNA)
where:
Base-Base interactions energy: -854.371
where: short stacking energy: -343.027
Base-Backbone interact. energy: 0.042
local terms energy: -374.319747
where:
bonds (distance) C4'-P energy: -62.259
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -85.146
flat angles P-C4'-P energy: -52.747
tors. eta vs tors. theta energy: -106.868
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: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1137.451252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.451252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.451252 (E_RNA)
where:
Base-Base interactions energy: -775.647
where: short stacking energy: -319.987
Base-Backbone interact. energy: -2.347
local terms energy: -359.457045
where:
bonds (distance) C4'-P energy: -69.085
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -84.554
flat angles P-C4'-P energy: -49.517
tors. eta vs tors. theta energy: -91.674
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: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1016.110819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.110819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.110819 (E_RNA)
where:
Base-Base interactions energy: -674.274
where: short stacking energy: -296.187
Base-Backbone interact. energy: 0.285
local terms energy: -342.121629
where:
bonds (distance) C4'-P energy: -70.949
bonds (distance) P-C4' energy: -60.861
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -80.855
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: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -980.047705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.047705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.047705 (E_RNA)
where:
Base-Base interactions energy: -663.943
where: short stacking energy: -276.312
Base-Backbone interact. energy: -1.506
local terms energy: -314.598966
where:
bonds (distance) C4'-P energy: -61.596
bonds (distance) P-C4' energy: -58.080
flat angles C4'-P-C4' energy: -72.693
flat angles P-C4'-P energy: -45.240
tors. eta vs tors. theta energy: -76.990
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: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -718.012439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.012439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.012439 (E_RNA)
where:
Base-Base interactions energy: -463.459
where: short stacking energy: -195.842
Base-Backbone interact. energy: -1.741
local terms energy: -252.812502
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -66.448
flat angles C4'-P-C4' energy: -69.941
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -37.257
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -393.637179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.637179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.637179 (E_RNA)
where:
Base-Base interactions energy: -180.266
where: short stacking energy: -99.405
Base-Backbone interact. energy: 5.022
local terms energy: -218.393164
where:
bonds (distance) C4'-P energy: -66.333
bonds (distance) P-C4' energy: -69.013
flat angles C4'-P-C4' energy: -55.220
flat angles P-C4'-P energy: -33.929
tors. eta vs tors. theta energy: 6.102
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: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -306.396948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.396948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.396948 (E_RNA)
where:
Base-Base interactions energy: -89.337
where: short stacking energy: -69.721
Base-Backbone interact. energy: -1.291
local terms energy: -215.769612
where:
bonds (distance) C4'-P energy: -71.209
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: 19.212
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: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1413.237071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.237071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.237071 (E_RNA)
where:
Base-Base interactions energy: -975.542
where: short stacking energy: -419.924
Base-Backbone interact. energy: -2.351
local terms energy: -435.343820
where:
bonds (distance) C4'-P energy: -84.090
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -61.695
tors. eta vs tors. theta energy: -128.075
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: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1327.086731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.086731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.086731 (E_RNA)
where:
Base-Base interactions energy: -936.605
where: short stacking energy: -382.380
Base-Backbone interact. energy: 2.180
local terms energy: -392.661749
where:
bonds (distance) C4'-P energy: -69.606
bonds (distance) P-C4' energy: -68.995
flat angles C4'-P-C4' energy: -86.940
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -113.529
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: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1339.270925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.270925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.270925 (E_RNA)
where:
Base-Base interactions energy: -917.488
where: short stacking energy: -382.254
Base-Backbone interact. energy: 1.774
local terms energy: -423.556364
where:
bonds (distance) C4'-P energy: -75.842
bonds (distance) P-C4' energy: -78.826
flat angles C4'-P-C4' energy: -87.474
flat angles P-C4'-P energy: -59.174
tors. eta vs tors. theta energy: -122.240
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: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1242.684689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.684689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.684689 (E_RNA)
where:
Base-Base interactions energy: -841.389
where: short stacking energy: -360.896
Base-Backbone interact. energy: -3.077
local terms energy: -398.218860
where:
bonds (distance) C4'-P energy: -74.360
bonds (distance) P-C4' energy: -72.492
flat angles C4'-P-C4' energy: -80.026
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -117.488
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: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1082.332129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.332129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.332129 (E_RNA)
where:
Base-Base interactions energy: -728.418
where: short stacking energy: -305.665
Base-Backbone interact. energy: -0.899
local terms energy: -353.014921
where:
bonds (distance) C4'-P energy: -64.013
bonds (distance) P-C4' energy: -70.297
flat angles C4'-P-C4' energy: -78.459
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -85.211
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: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -997.862013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.862013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.862013 (E_RNA)
where:
Base-Base interactions energy: -641.522
where: short stacking energy: -289.329
Base-Backbone interact. energy: -1.748
local terms energy: -354.591988
where:
bonds (distance) C4'-P energy: -69.240
bonds (distance) P-C4' energy: -75.120
flat angles C4'-P-C4' energy: -79.894
flat angles P-C4'-P energy: -50.178
tors. eta vs tors. theta energy: -80.161
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: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -905.026445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.026445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.026445 (E_RNA)
where:
Base-Base interactions energy: -588.869
where: short stacking energy: -245.638
Base-Backbone interact. energy: 2.632
local terms energy: -318.789355
where:
bonds (distance) C4'-P energy: -64.686
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -84.165
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: -63.662
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: 317
Temperature: 1.250000
Total energy: -684.286550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.286550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.286550 (E_RNA)
where:
Base-Base interactions energy: -415.557
where: short stacking energy: -183.634
Base-Backbone interact. energy: -2.436
local terms energy: -266.293542
where:
bonds (distance) C4'-P energy: -64.735
bonds (distance) P-C4' energy: -84.299
flat angles C4'-P-C4' energy: -46.755
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -26.699
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: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -402.951897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.951897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.951897 (E_RNA)
where:
Base-Base interactions energy: -166.888
where: short stacking energy: -116.165
Base-Backbone interact. energy: 2.294
local terms energy: -238.357758
where:
bonds (distance) C4'-P energy: -65.684
bonds (distance) P-C4' energy: -64.963
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -47.833
tors. eta vs tors. theta energy: 0.761
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: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -328.149261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.149261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.149261 (E_RNA)
where:
Base-Base interactions energy: -120.377
where: short stacking energy: -100.813
Base-Backbone interact. energy: 1.333
local terms energy: -209.105542
where:
bonds (distance) C4'-P energy: -73.355
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -49.950
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: 1.845
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: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1400.766336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.766336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.766336 (E_RNA)
where:
Base-Base interactions energy: -966.002
where: short stacking energy: -415.947
Base-Backbone interact. energy: -2.019
local terms energy: -432.744757
where:
bonds (distance) C4'-P energy: -64.800
bonds (distance) P-C4' energy: -76.389
flat angles C4'-P-C4' energy: -90.787
flat angles P-C4'-P energy: -63.170
tors. eta vs tors. theta energy: -137.599
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: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1340.381313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.381313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.381313 (E_RNA)
where:
Base-Base interactions energy: -922.726
where: short stacking energy: -353.721
Base-Backbone interact. energy: -1.112
local terms energy: -416.543728
where:
bonds (distance) C4'-P energy: -75.241
bonds (distance) P-C4' energy: -85.599
flat angles C4'-P-C4' energy: -86.818
flat angles P-C4'-P energy: -58.717
tors. eta vs tors. theta energy: -110.168
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: 318
Temperature: 1.000000
Total energy: -1333.813760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.813760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.813760 (E_RNA)
where:
Base-Base interactions energy: -920.911
where: short stacking energy: -377.781
Base-Backbone interact. energy: -2.477
local terms energy: -410.425624
where:
bonds (distance) C4'-P energy: -73.024
bonds (distance) P-C4' energy: -83.841
flat angles C4'-P-C4' energy: -88.861
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -110.923
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: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1234.991830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.991830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.991830 (E_RNA)
where:
Base-Base interactions energy: -846.685
where: short stacking energy: -342.704
Base-Backbone interact. energy: -5.325
local terms energy: -382.981665
where:
bonds (distance) C4'-P energy: -75.874
bonds (distance) P-C4' energy: -81.244
flat angles C4'-P-C4' energy: -75.980
flat angles P-C4'-P energy: -56.405
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: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1129.836917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.836917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.836917 (E_RNA)
where:
Base-Base interactions energy: -762.805
where: short stacking energy: -324.896
Base-Backbone interact. energy: -0.444
local terms energy: -366.588460
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -69.358
flat angles C4'-P-C4' energy: -80.088
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -98.225
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: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1016.322037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.322037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.322037 (E_RNA)
where:
Base-Base interactions energy: -677.607
where: short stacking energy: -270.714
Base-Backbone interact. energy: -0.769
local terms energy: -337.946544
where:
bonds (distance) C4'-P energy: -72.552
bonds (distance) P-C4' energy: -60.448
flat angles C4'-P-C4' energy: -86.328
flat angles P-C4'-P energy: -51.775
tors. eta vs tors. theta energy: -66.844
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: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -885.067655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.067655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.067655 (E_RNA)
where:
Base-Base interactions energy: -573.582
where: short stacking energy: -246.234
Base-Backbone interact. energy: -2.083
local terms energy: -309.402327
where:
bonds (distance) C4'-P energy: -56.384
bonds (distance) P-C4' energy: -77.321
flat angles C4'-P-C4' energy: -76.934
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -62.549
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: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -713.216458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.216458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.216458 (E_RNA)
where:
Base-Base interactions energy: -443.457
where: short stacking energy: -180.723
Base-Backbone interact. energy: 4.062
local terms energy: -273.821522
where:
bonds (distance) C4'-P energy: -67.447
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -73.522
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -23.212
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: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -435.514006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.514006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.514006 (E_RNA)
where:
Base-Base interactions energy: -191.521
where: short stacking energy: -137.066
Base-Backbone interact. energy: 0.955
local terms energy: -244.947670
where:
bonds (distance) C4'-P energy: -72.030
bonds (distance) P-C4' energy: -75.564
flat angles C4'-P-C4' energy: -58.232
flat angles P-C4'-P energy: -29.475
tors. eta vs tors. theta energy: -9.647
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: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -333.122437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.122437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.122437 (E_RNA)
where:
Base-Base interactions energy: -135.538
where: short stacking energy: -79.792
Base-Backbone interact. energy: -0.859
local terms energy: -196.725737
where:
bonds (distance) C4'-P energy: -57.746
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -50.984
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: 15.294
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: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1391.440811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.440811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.440811 (E_RNA)
where:
Base-Base interactions energy: -939.649
where: short stacking energy: -408.732
Base-Backbone interact. energy: -3.542
local terms energy: -448.250286
where:
bonds (distance) C4'-P energy: -80.354
bonds (distance) P-C4' energy: -75.974
flat angles C4'-P-C4' energy: -97.700
flat angles P-C4'-P energy: -64.907
tors. eta vs tors. theta energy: -129.314
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: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1352.821146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.821146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.821146 (E_RNA)
where:
Base-Base interactions energy: -940.980
where: short stacking energy: -396.985
Base-Backbone interact. energy: -3.054
local terms energy: -408.787142
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -83.681
flat angles C4'-P-C4' energy: -78.372
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -113.365
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: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1311.750781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.750781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.750781 (E_RNA)
where:
Base-Base interactions energy: -892.165
where: short stacking energy: -353.419
Base-Backbone interact. energy: -0.942
local terms energy: -418.643513
where:
bonds (distance) C4'-P energy: -79.363
bonds (distance) P-C4' energy: -76.481
flat angles C4'-P-C4' energy: -89.721
flat angles P-C4'-P energy: -60.991
tors. eta vs tors. theta energy: -112.087
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1234.619253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.619253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.619253 (E_RNA)
where:
Base-Base interactions energy: -840.027
where: short stacking energy: -334.165
Base-Backbone interact. energy: -2.610
local terms energy: -391.982028
where:
bonds (distance) C4'-P energy: -64.899
bonds (distance) P-C4' energy: -80.417
flat angles C4'-P-C4' energy: -76.224
flat angles P-C4'-P energy: -59.458
tors. eta vs tors. theta energy: -110.985
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: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1125.533880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.533880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.533880 (E_RNA)
where:
Base-Base interactions energy: -755.898
where: short stacking energy: -333.144
Base-Backbone interact. energy: -1.318
local terms energy: -368.318316
where:
bonds (distance) C4'-P energy: -65.835
bonds (distance) P-C4' energy: -67.305
flat angles C4'-P-C4' energy: -77.004
flat angles P-C4'-P energy: -61.897
tors. eta vs tors. theta energy: -96.277
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: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1019.165771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.165771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.165771 (E_RNA)
where:
Base-Base interactions energy: -672.176
where: short stacking energy: -291.696
Base-Backbone interact. energy: -1.063
local terms energy: -345.926949
where:
bonds (distance) C4'-P energy: -75.827
bonds (distance) P-C4' energy: -68.262
flat angles C4'-P-C4' energy: -77.902
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -76.074
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: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -884.177554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.177554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.177554 (E_RNA)
where:
Base-Base interactions energy: -580.675
where: short stacking energy: -243.432
Base-Backbone interact. energy: -2.203
local terms energy: -301.299338
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -73.201
flat angles C4'-P-C4' energy: -91.837
flat angles P-C4'-P energy: -30.145
tors. eta vs tors. theta energy: -52.668
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: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -793.751851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.751851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.751851 (E_RNA)
where:
Base-Base interactions energy: -475.681
where: short stacking energy: -194.881
Base-Backbone interact. energy: -0.025
local terms energy: -318.045749
where:
bonds (distance) C4'-P energy: -75.440
bonds (distance) P-C4' energy: -80.253
flat angles C4'-P-C4' energy: -73.543
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -49.934
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: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -428.297116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.297116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.297116 (E_RNA)
where:
Base-Base interactions energy: -198.305
where: short stacking energy: -127.883
Base-Backbone interact. energy: 2.125
local terms energy: -232.117502
where:
bonds (distance) C4'-P energy: -56.622
bonds (distance) P-C4' energy: -66.577
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -12.441
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: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -341.223623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.223623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.223623 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -104.337
Base-Backbone interact. energy: -0.351
local terms energy: -192.612440
where:
bonds (distance) C4'-P energy: -67.263
bonds (distance) P-C4' energy: -52.252
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -23.017
tors. eta vs tors. theta energy: 4.317
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: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1371.383923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.383923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.383923 (E_RNA)
where:
Base-Base interactions energy: -951.123
where: short stacking energy: -386.196
Base-Backbone interact. energy: -2.291
local terms energy: -417.969614
where:
bonds (distance) C4'-P energy: -86.243
bonds (distance) P-C4' energy: -76.951
flat angles C4'-P-C4' energy: -92.769
flat angles P-C4'-P energy: -55.391
tors. eta vs tors. theta energy: -106.615
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: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1367.128404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.128404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.128404 (E_RNA)
where:
Base-Base interactions energy: -934.688
where: short stacking energy: -380.916
Base-Backbone interact. energy: -0.877
local terms energy: -431.563660
where:
bonds (distance) C4'-P energy: -86.439
bonds (distance) P-C4' energy: -78.351
flat angles C4'-P-C4' energy: -93.458
flat angles P-C4'-P energy: -48.674
tors. eta vs tors. theta energy: -124.641
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: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1309.525714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.525714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.525714 (E_RNA)
where:
Base-Base interactions energy: -927.647
where: short stacking energy: -368.711
Base-Backbone interact. energy: -0.924
local terms energy: -380.954751
where:
bonds (distance) C4'-P energy: -63.687
bonds (distance) P-C4' energy: -74.401
flat angles C4'-P-C4' energy: -83.392
flat angles P-C4'-P energy: -46.562
tors. eta vs tors. theta energy: -112.913
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1253.321659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.321659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.321659 (E_RNA)
where:
Base-Base interactions energy: -855.105
where: short stacking energy: -351.041
Base-Backbone interact. energy: -0.308
local terms energy: -397.907850
where:
bonds (distance) C4'-P energy: -74.902
bonds (distance) P-C4' energy: -72.933
flat angles C4'-P-C4' energy: -81.632
flat angles P-C4'-P energy: -57.919
tors. eta vs tors. theta energy: -110.522
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: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1125.689264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.689264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.689264 (E_RNA)
where:
Base-Base interactions energy: -753.972
where: short stacking energy: -315.975
Base-Backbone interact. energy: -2.648
local terms energy: -369.069178
where:
bonds (distance) C4'-P energy: -69.458
bonds (distance) P-C4' energy: -74.817
flat angles C4'-P-C4' energy: -79.590
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: -95.118
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: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1028.768695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.768695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.768695 (E_RNA)
where:
Base-Base interactions energy: -681.189
where: short stacking energy: -297.488
Base-Backbone interact. energy: -2.738
local terms energy: -344.841392
where:
bonds (distance) C4'-P energy: -67.255
bonds (distance) P-C4' energy: -75.526
flat angles C4'-P-C4' energy: -78.142
flat angles P-C4'-P energy: -44.948
tors. eta vs tors. theta energy: -78.971
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: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -861.115409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.115409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.115409 (E_RNA)
where:
Base-Base interactions energy: -556.754
where: short stacking energy: -250.156
Base-Backbone interact. energy: 2.391
local terms energy: -306.751565
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -64.084
flat angles C4'-P-C4' energy: -77.771
flat angles P-C4'-P energy: -46.932
tors. eta vs tors. theta energy: -59.115
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: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -719.120092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.120092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.120092 (E_RNA)
where:
Base-Base interactions energy: -435.851
where: short stacking energy: -170.765
Base-Backbone interact. energy: 0.172
local terms energy: -283.440948
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -72.070
flat angles C4'-P-C4' energy: -83.249
flat angles P-C4'-P energy: -35.915
tors. eta vs tors. theta energy: -28.728
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: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -386.948122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.948122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.948122 (E_RNA)
where:
Base-Base interactions energy: -153.164
where: short stacking energy: -99.421
Base-Backbone interact. energy: 0.194
local terms energy: -233.977742
where:
bonds (distance) C4'-P energy: -60.204
bonds (distance) P-C4' energy: -78.362
flat angles C4'-P-C4' energy: -67.569
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: 7.195
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: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -396.311697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.311697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.311697 (E_RNA)
where:
Base-Base interactions energy: -175.616
where: short stacking energy: -126.756
Base-Backbone interact. energy: 0.651
local terms energy: -221.346975
where:
bonds (distance) C4'-P energy: -52.771
bonds (distance) P-C4' energy: -81.308
flat angles C4'-P-C4' energy: -47.377
flat angles P-C4'-P energy: -28.765
tors. eta vs tors. theta energy: -11.127
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: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1345.711016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.711016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.711016 (E_RNA)
where:
Base-Base interactions energy: -925.367
where: short stacking energy: -376.871
Base-Backbone interact. energy: -2.531
local terms energy: -417.812858
where:
bonds (distance) C4'-P energy: -82.453
bonds (distance) P-C4' energy: -81.894
flat angles C4'-P-C4' energy: -89.873
flat angles P-C4'-P energy: -57.459
tors. eta vs tors. theta energy: -106.135
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: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1379.500475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.500475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.500475 (E_RNA)
where:
Base-Base interactions energy: -962.852
where: short stacking energy: -384.789
Base-Backbone interact. energy: 0.950
local terms energy: -417.599079
where:
bonds (distance) C4'-P energy: -76.889
bonds (distance) P-C4' energy: -84.550
flat angles C4'-P-C4' energy: -80.813
flat angles P-C4'-P energy: -56.790
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: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1342.752399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.752399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.752399 (E_RNA)
where:
Base-Base interactions energy: -938.850
where: short stacking energy: -388.347
Base-Backbone interact. energy: -1.937
local terms energy: -401.965404
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -91.353
flat angles P-C4'-P energy: -56.775
tors. eta vs tors. theta energy: -123.130
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: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1142.600919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.600919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.600919 (E_RNA)
where:
Base-Base interactions energy: -766.294
where: short stacking energy: -357.742
Base-Backbone interact. energy: -1.070
local terms energy: -375.237547
where:
bonds (distance) C4'-P energy: -67.051
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -81.775
flat angles P-C4'-P energy: -58.680
tors. eta vs tors. theta energy: -101.382
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: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1177.828087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.828087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.828087 (E_RNA)
where:
Base-Base interactions energy: -799.624
where: short stacking energy: -329.512
Base-Backbone interact. energy: -2.409
local terms energy: -375.794654
where:
bonds (distance) C4'-P energy: -71.914
bonds (distance) P-C4' energy: -74.662
flat angles C4'-P-C4' energy: -78.662
flat angles P-C4'-P energy: -49.317
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1054.575569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.575569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.575569 (E_RNA)
where:
Base-Base interactions energy: -713.066
where: short stacking energy: -317.669
Base-Backbone interact. energy: -0.235
local terms energy: -341.274720
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -78.980
flat angles C4'-P-C4' energy: -77.273
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -92.781
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: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -791.312249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.312249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.312249 (E_RNA)
where:
Base-Base interactions energy: -480.124
where: short stacking energy: -229.561
Base-Backbone interact. energy: -1.639
local terms energy: -309.549233
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -69.891
flat angles C4'-P-C4' energy: -80.279
flat angles P-C4'-P energy: -46.927
tors. eta vs tors. theta energy: -48.721
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: 321
Temperature: 1.250000
Total energy: -702.691087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.691087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.691087 (E_RNA)
where:
Base-Base interactions energy: -426.173
where: short stacking energy: -193.040
Base-Backbone interact. energy: 0.167
local terms energy: -276.684581
where:
bonds (distance) C4'-P energy: -62.582
bonds (distance) P-C4' energy: -74.676
flat angles C4'-P-C4' energy: -69.003
flat angles P-C4'-P energy: -36.529
tors. eta vs tors. theta energy: -33.895
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: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -409.175213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.175213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.175213 (E_RNA)
where:
Base-Base interactions energy: -184.829
where: short stacking energy: -113.856
Base-Backbone interact. energy: -1.925
local terms energy: -222.421356
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -29.361
tors. eta vs tors. theta energy: -5.502
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: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -380.157235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.157235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.157235 (E_RNA)
where:
Base-Base interactions energy: -170.501
where: short stacking energy: -108.031
Base-Backbone interact. energy: -2.554
local terms energy: -207.102047
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -71.780
flat angles C4'-P-C4' energy: -41.159
flat angles P-C4'-P energy: -29.608
tors. eta vs tors. theta energy: -2.198
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: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1384.180230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.180230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.180230 (E_RNA)
where:
Base-Base interactions energy: -960.387
where: short stacking energy: -380.080
Base-Backbone interact. energy: -2.906
local terms energy: -420.887124
where:
bonds (distance) C4'-P energy: -76.015
bonds (distance) P-C4' energy: -81.344
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -59.217
tors. eta vs tors. theta energy: -112.393
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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1379.068565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.068565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.068565 (E_RNA)
where:
Base-Base interactions energy: -947.879
where: short stacking energy: -397.954
Base-Backbone interact. energy: -0.415
local terms energy: -430.773961
where:
bonds (distance) C4'-P energy: -82.719
bonds (distance) P-C4' energy: -75.120
flat angles C4'-P-C4' energy: -89.875
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -126.797
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: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1338.120272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.120272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.120272 (E_RNA)
where:
Base-Base interactions energy: -925.620
where: short stacking energy: -375.235
Base-Backbone interact. energy: -2.748
local terms energy: -409.751727
where:
bonds (distance) C4'-P energy: -74.053
bonds (distance) P-C4' energy: -75.770
flat angles C4'-P-C4' energy: -87.058
flat angles P-C4'-P energy: -55.488
tors. eta vs tors. theta energy: -117.383
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: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1180.361480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.361480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.361480 (E_RNA)
where:
Base-Base interactions energy: -783.307
where: short stacking energy: -354.770
Base-Backbone interact. energy: -3.182
local terms energy: -393.872231
where:
bonds (distance) C4'-P energy: -74.832
bonds (distance) P-C4' energy: -80.249
flat angles C4'-P-C4' energy: -79.679
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -102.421
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: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1172.914567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.914567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.914567 (E_RNA)
where:
Base-Base interactions energy: -803.949
where: short stacking energy: -334.389
Base-Backbone interact. energy: 1.674
local terms energy: -370.639032
where:
bonds (distance) C4'-P energy: -68.539
bonds (distance) P-C4' energy: -71.349
flat angles C4'-P-C4' energy: -74.857
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -94.803
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: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1005.852263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.852263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.852263 (E_RNA)
where:
Base-Base interactions energy: -667.791
where: short stacking energy: -278.134
Base-Backbone interact. energy: -1.676
local terms energy: -336.385378
where:
bonds (distance) C4'-P energy: -64.196
bonds (distance) P-C4' energy: -68.075
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -58.316
tors. eta vs tors. theta energy: -80.460
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: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -815.515327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.515327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.515327 (E_RNA)
where:
Base-Base interactions energy: -526.009
where: short stacking energy: -249.977
Base-Backbone interact. energy: -1.464
local terms energy: -288.042927
where:
bonds (distance) C4'-P energy: -60.592
bonds (distance) P-C4' energy: -65.908
flat angles C4'-P-C4' energy: -65.036
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: -62.094
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: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -720.145689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.145689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.145689 (E_RNA)
where:
Base-Base interactions energy: -443.363
where: short stacking energy: -197.755
Base-Backbone interact. energy: -3.860
local terms energy: -272.922872
where:
bonds (distance) C4'-P energy: -61.848
bonds (distance) P-C4' energy: -66.469
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -41.657
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: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -396.754576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.754576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.754576 (E_RNA)
where:
Base-Base interactions energy: -177.775
where: short stacking energy: -105.610
Base-Backbone interact. energy: 3.200
local terms energy: -222.179544
where:
bonds (distance) C4'-P energy: -61.987
bonds (distance) P-C4' energy: -73.400
flat angles C4'-P-C4' energy: -62.490
flat angles P-C4'-P energy: -23.892
tors. eta vs tors. theta energy: -0.411
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: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -408.828194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.828194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.828194 (E_RNA)
where:
Base-Base interactions energy: -171.851
where: short stacking energy: -102.592
Base-Backbone interact. energy: 2.193
local terms energy: -239.170448
where:
bonds (distance) C4'-P energy: -62.686
bonds (distance) P-C4' energy: -74.817
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -12.182
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: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1376.222894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.222894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.222894 (E_RNA)
where:
Base-Base interactions energy: -963.684
where: short stacking energy: -376.444
Base-Backbone interact. energy: -0.149
local terms energy: -412.390347
where:
bonds (distance) C4'-P energy: -81.224
bonds (distance) P-C4' energy: -87.635
flat angles C4'-P-C4' energy: -89.592
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: -103.846
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: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1389.218401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.218401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.218401 (E_RNA)
where:
Base-Base interactions energy: -944.592
where: short stacking energy: -389.422
Base-Backbone interact. energy: -0.841
local terms energy: -443.785257
where:
bonds (distance) C4'-P energy: -82.900
bonds (distance) P-C4' energy: -78.395
flat angles C4'-P-C4' energy: -92.844
flat angles P-C4'-P energy: -56.221
tors. eta vs tors. theta energy: -133.424
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: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1347.728861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.728861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.728861 (E_RNA)
where:
Base-Base interactions energy: -918.549
where: short stacking energy: -381.257
Base-Backbone interact. energy: -1.082
local terms energy: -428.098109
where:
bonds (distance) C4'-P energy: -77.172
bonds (distance) P-C4' energy: -82.870
flat angles C4'-P-C4' energy: -89.439
flat angles P-C4'-P energy: -58.922
tors. eta vs tors. theta energy: -119.696
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: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1207.147309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.147309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.147309 (E_RNA)
where:
Base-Base interactions energy: -817.501
where: short stacking energy: -355.532
Base-Backbone interact. energy: -0.840
local terms energy: -388.806151
where:
bonds (distance) C4'-P energy: -79.014
bonds (distance) P-C4' energy: -80.097
flat angles C4'-P-C4' energy: -64.534
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -109.867
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: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1186.928529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.928529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.928529 (E_RNA)
where:
Base-Base interactions energy: -807.829
where: short stacking energy: -338.724
Base-Backbone interact. energy: -2.279
local terms energy: -376.820183
where:
bonds (distance) C4'-P energy: -73.675
bonds (distance) P-C4' energy: -72.732
flat angles C4'-P-C4' energy: -82.174
flat angles P-C4'-P energy: -58.192
tors. eta vs tors. theta energy: -90.047
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: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1071.505575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.505575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.505575 (E_RNA)
where:
Base-Base interactions energy: -700.954
where: short stacking energy: -298.799
Base-Backbone interact. energy: -1.698
local terms energy: -368.853584
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -80.643
flat angles C4'-P-C4' energy: -82.680
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -87.658
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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -842.524383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.524383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.524383 (E_RNA)
where:
Base-Base interactions energy: -534.522
where: short stacking energy: -246.539
Base-Backbone interact. energy: 2.926
local terms energy: -310.927728
where:
bonds (distance) C4'-P energy: -68.363
bonds (distance) P-C4' energy: -67.634
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -63.807
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: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -791.104761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.104761 (E_RNA)
where:
Base-Base interactions energy: -492.726
where: short stacking energy: -213.744
Base-Backbone interact. energy: -3.574
local terms energy: -294.804271
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -72.579
flat angles C4'-P-C4' energy: -77.596
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -45.466
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -430.060171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.060171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.060171 (E_RNA)
where:
Base-Base interactions energy: -187.382
where: short stacking energy: -122.877
Base-Backbone interact. energy: 0.358
local terms energy: -243.035779
where:
bonds (distance) C4'-P energy: -64.886
bonds (distance) P-C4' energy: -73.622
flat angles C4'-P-C4' energy: -54.296
flat angles P-C4'-P energy: -42.500
tors. eta vs tors. theta energy: -7.732
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: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -411.600205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.600205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.600205 (E_RNA)
where:
Base-Base interactions energy: -192.537
where: short stacking energy: -117.173
Base-Backbone interact. energy: -0.610
local terms energy: -218.453112
where:
bonds (distance) C4'-P energy: -49.707
bonds (distance) P-C4' energy: -70.409
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -9.094
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: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1402.339364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.339364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.339364 (E_RNA)
where:
Base-Base interactions energy: -965.510
where: short stacking energy: -411.943
Base-Backbone interact. energy: -1.325
local terms energy: -435.503772
where:
bonds (distance) C4'-P energy: -75.374
bonds (distance) P-C4' energy: -75.020
flat angles C4'-P-C4' energy: -96.655
flat angles P-C4'-P energy: -61.776
tors. eta vs tors. theta energy: -126.679
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: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1342.952190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.952190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.952190 (E_RNA)
where:
Base-Base interactions energy: -932.452
where: short stacking energy: -382.333
Base-Backbone interact. energy: 0.903
local terms energy: -411.403108
where:
bonds (distance) C4'-P energy: -81.877
bonds (distance) P-C4' energy: -75.266
flat angles C4'-P-C4' energy: -84.565
flat angles P-C4'-P energy: -65.713
tors. eta vs tors. theta energy: -103.982
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: 324
Temperature: 1.000000
Total energy: -1294.605083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.605083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.605083 (E_RNA)
where:
Base-Base interactions energy: -898.867
where: short stacking energy: -362.921
Base-Backbone interact. energy: 3.248
local terms energy: -398.986767
where:
bonds (distance) C4'-P energy: -69.314
bonds (distance) P-C4' energy: -69.472
flat angles C4'-P-C4' energy: -83.084
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: -115.882
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: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1187.894215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.894215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.894215 (E_RNA)
where:
Base-Base interactions energy: -791.563
where: short stacking energy: -351.715
Base-Backbone interact. energy: 0.835
local terms energy: -397.166422
where:
bonds (distance) C4'-P energy: -68.260
bonds (distance) P-C4' energy: -77.082
flat angles C4'-P-C4' energy: -88.110
flat angles P-C4'-P energy: -61.403
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: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1214.758340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.758340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.758340 (E_RNA)
where:
Base-Base interactions energy: -831.803
where: short stacking energy: -345.558
Base-Backbone interact. energy: -0.413
local terms energy: -382.542780
where:
bonds (distance) C4'-P energy: -67.589
bonds (distance) P-C4' energy: -69.125
flat angles C4'-P-C4' energy: -82.931
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -110.106
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: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1058.435979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.435979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.435979 (E_RNA)
where:
Base-Base interactions energy: -704.174
where: short stacking energy: -287.603
Base-Backbone interact. energy: -1.816
local terms energy: -352.446312
where:
bonds (distance) C4'-P energy: -63.901
bonds (distance) P-C4' energy: -76.381
flat angles C4'-P-C4' energy: -81.339
flat angles P-C4'-P energy: -48.013
tors. eta vs tors. theta energy: -82.812
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: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -844.998814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.998814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.998814 (E_RNA)
where:
Base-Base interactions energy: -526.958
where: short stacking energy: -234.518
Base-Backbone interact. energy: 0.410
local terms energy: -318.450823
where:
bonds (distance) C4'-P energy: -61.981
bonds (distance) P-C4' energy: -70.682
flat angles C4'-P-C4' energy: -68.670
flat angles P-C4'-P energy: -61.953
tors. eta vs tors. theta energy: -55.164
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: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -700.041862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.041862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.041862 (E_RNA)
where:
Base-Base interactions energy: -406.499
where: short stacking energy: -187.150
Base-Backbone interact. energy: 2.131
local terms energy: -295.674419
where:
bonds (distance) C4'-P energy: -69.139
bonds (distance) P-C4' energy: -78.891
flat angles C4'-P-C4' energy: -63.029
flat angles P-C4'-P energy: -52.088
tors. eta vs tors. theta energy: -32.527
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: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -363.667818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.667818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.667818 (E_RNA)
where:
Base-Base interactions energy: -122.285
where: short stacking energy: -65.267
Base-Backbone interact. energy: -3.677
local terms energy: -237.705988
where:
bonds (distance) C4'-P energy: -71.203
bonds (distance) P-C4' energy: -78.268
flat angles C4'-P-C4' energy: -61.728
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: 0.401
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -408.201824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.201824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.201824 (E_RNA)
where:
Base-Base interactions energy: -194.581
where: short stacking energy: -116.251
Base-Backbone interact. energy: -1.478
local terms energy: -212.143263
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -67.070
flat angles C4'-P-C4' energy: -46.097
flat angles P-C4'-P energy: -44.194
tors. eta vs tors. theta energy: 0.511
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: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1392.282961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.282961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.282961 (E_RNA)
where:
Base-Base interactions energy: -949.305
where: short stacking energy: -395.034
Base-Backbone interact. energy: -1.125
local terms energy: -441.852839
where:
bonds (distance) C4'-P energy: -75.262
bonds (distance) P-C4' energy: -80.543
flat angles C4'-P-C4' energy: -95.630
flat angles P-C4'-P energy: -62.471
tors. eta vs tors. theta energy: -127.947
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: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1344.606320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.606320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.606320 (E_RNA)
where:
Base-Base interactions energy: -933.887
where: short stacking energy: -369.850
Base-Backbone interact. energy: -2.323
local terms energy: -408.395499
where:
bonds (distance) C4'-P energy: -73.639
bonds (distance) P-C4' energy: -78.904
flat angles C4'-P-C4' energy: -92.467
flat angles P-C4'-P energy: -55.725
tors. eta vs tors. theta energy: -107.661
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: 325
Temperature: 1.000000
Total energy: -1307.574812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.574812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.574812 (E_RNA)
where:
Base-Base interactions energy: -903.697
where: short stacking energy: -385.082
Base-Backbone interact. energy: -0.635
local terms energy: -403.242111
where:
bonds (distance) C4'-P energy: -64.896
bonds (distance) P-C4' energy: -77.254
flat angles C4'-P-C4' energy: -88.757
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: -115.619
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: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1206.048991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.048991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.048991 (E_RNA)
where:
Base-Base interactions energy: -829.497
where: short stacking energy: -336.906
Base-Backbone interact. energy: -1.076
local terms energy: -375.476513
where:
bonds (distance) C4'-P energy: -58.122
bonds (distance) P-C4' energy: -78.645
flat angles C4'-P-C4' energy: -78.306
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -106.146
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: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1147.351788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.351788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.351788 (E_RNA)
where:
Base-Base interactions energy: -767.229
where: short stacking energy: -330.026
Base-Backbone interact. energy: -0.947
local terms energy: -379.175522
where:
bonds (distance) C4'-P energy: -80.527
bonds (distance) P-C4' energy: -84.647
flat angles C4'-P-C4' energy: -74.077
flat angles P-C4'-P energy: -43.615
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: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1147.142311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.142311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.142311 (E_RNA)
where:
Base-Base interactions energy: -778.144
where: short stacking energy: -319.088
Base-Backbone interact. energy: 1.998
local terms energy: -370.996300
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -72.152
flat angles C4'-P-C4' energy: -83.017
flat angles P-C4'-P energy: -58.568
tors. eta vs tors. theta energy: -93.976
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -784.954793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.954793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.954793 (E_RNA)
where:
Base-Base interactions energy: -483.151
where: short stacking energy: -227.048
Base-Backbone interact. energy: -2.607
local terms energy: -299.196556
where:
bonds (distance) C4'-P energy: -67.024
bonds (distance) P-C4' energy: -71.990
flat angles C4'-P-C4' energy: -64.152
flat angles P-C4'-P energy: -47.331
tors. eta vs tors. theta energy: -48.700
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: 325
Temperature: 1.250000
Total energy: -679.088975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.088975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.088975 (E_RNA)
where:
Base-Base interactions energy: -404.806
where: short stacking energy: -175.775
Base-Backbone interact. energy: -4.479
local terms energy: -269.803421
where:
bonds (distance) C4'-P energy: -68.202
bonds (distance) P-C4' energy: -62.885
flat angles C4'-P-C4' energy: -73.834
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -25.579
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: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -335.756614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.756614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.756614 (E_RNA)
where:
Base-Base interactions energy: -109.970
where: short stacking energy: -74.415
Base-Backbone interact. energy: -1.058
local terms energy: -224.728520
where:
bonds (distance) C4'-P energy: -72.668
bonds (distance) P-C4' energy: -70.465
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: 15.510
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: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -395.468890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.468890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.468890 (E_RNA)
where:
Base-Base interactions energy: -188.304
where: short stacking energy: -114.675
Base-Backbone interact. energy: -0.034
local terms energy: -207.131364
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -73.207
flat angles C4'-P-C4' energy: -56.738
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: 2.717
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: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1360.659395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.659395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.659395 (E_RNA)
where:
Base-Base interactions energy: -948.396
where: short stacking energy: -384.182
Base-Backbone interact. energy: -3.448
local terms energy: -408.815350
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -65.077
flat angles C4'-P-C4' energy: -86.554
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -118.928
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: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1389.763383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.763383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.763383 (E_RNA)
where:
Base-Base interactions energy: -944.145
where: short stacking energy: -390.414
Base-Backbone interact. energy: -2.225
local terms energy: -443.392823
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -79.602
flat angles C4'-P-C4' energy: -95.036
flat angles P-C4'-P energy: -64.797
tors. eta vs tors. theta energy: -128.040
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: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1291.892655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.892655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.892655 (E_RNA)
where:
Base-Base interactions energy: -896.025
where: short stacking energy: -364.162
Base-Backbone interact. energy: 2.491
local terms energy: -398.358954
where:
bonds (distance) C4'-P energy: -75.303
bonds (distance) P-C4' energy: -79.399
flat angles C4'-P-C4' energy: -77.910
flat angles P-C4'-P energy: -54.342
tors. eta vs tors. theta energy: -111.404
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: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1202.429840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.429840 (E_RNA)
where:
Base-Base interactions energy: -807.837
where: short stacking energy: -353.330
Base-Backbone interact. energy: -1.716
local terms energy: -392.876924
where:
bonds (distance) C4'-P energy: -69.752
bonds (distance) P-C4' energy: -66.515
flat angles C4'-P-C4' energy: -79.955
flat angles P-C4'-P energy: -64.386
tors. eta vs tors. theta energy: -112.270
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: 5, replica: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1125.309369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.309369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.309369 (E_RNA)
where:
Base-Base interactions energy: -751.874
where: short stacking energy: -325.946
Base-Backbone interact. energy: -1.621
local terms energy: -371.813867
where:
bonds (distance) C4'-P energy: -61.534
bonds (distance) P-C4' energy: -73.232
flat angles C4'-P-C4' energy: -79.465
flat angles P-C4'-P energy: -60.171
tors. eta vs tors. theta energy: -97.412
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: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1102.047965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.047965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.047965 (E_RNA)
where:
Base-Base interactions energy: -756.983
where: short stacking energy: -312.273
Base-Backbone interact. energy: -1.268
local terms energy: -343.797163
where:
bonds (distance) C4'-P energy: -70.783
bonds (distance) P-C4' energy: -67.000
flat angles C4'-P-C4' energy: -76.399
flat angles P-C4'-P energy: -41.268
tors. eta vs tors. theta energy: -88.347
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: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -774.120995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.120995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.120995 (E_RNA)
where:
Base-Base interactions energy: -483.073
where: short stacking energy: -231.637
Base-Backbone interact. energy: -1.918
local terms energy: -289.129824
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -81.749
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -38.607
tors. eta vs tors. theta energy: -49.436
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: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -709.811722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.811722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.811722 (E_RNA)
where:
Base-Base interactions energy: -427.335
where: short stacking energy: -198.664
Base-Backbone interact. energy: -0.660
local terms energy: -281.817695
where:
bonds (distance) C4'-P energy: -62.336
bonds (distance) P-C4' energy: -57.550
flat angles C4'-P-C4' energy: -77.708
flat angles P-C4'-P energy: -50.546
tors. eta vs tors. theta energy: -33.678
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -328.364883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.364883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.364883 (E_RNA)
where:
Base-Base interactions energy: -129.432
where: short stacking energy: -83.501
Base-Backbone interact. energy: 6.147
local terms energy: -205.079687
where:
bonds (distance) C4'-P energy: -69.654
bonds (distance) P-C4' energy: -59.995
flat angles C4'-P-C4' energy: -44.345
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: 13.579
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -314.859730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.859730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.859730 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -80.464
Base-Backbone interact. energy: 4.612
local terms energy: -221.302951
where:
bonds (distance) C4'-P energy: -66.356
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: 18.100
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: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1354.133693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.133693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.133693 (E_RNA)
where:
Base-Base interactions energy: -927.889
where: short stacking energy: -382.748
Base-Backbone interact. energy: 0.543
local terms energy: -426.788157
where:
bonds (distance) C4'-P energy: -80.965
bonds (distance) P-C4' energy: -85.217
flat angles C4'-P-C4' energy: -96.809
flat angles P-C4'-P energy: -51.972
tors. eta vs tors. theta energy: -111.825
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: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1399.449985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.449985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.449985 (E_RNA)
where:
Base-Base interactions energy: -955.866
where: short stacking energy: -407.800
Base-Backbone interact. energy: -2.287
local terms energy: -441.297194
where:
bonds (distance) C4'-P energy: -77.734
bonds (distance) P-C4' energy: -78.359
flat angles C4'-P-C4' energy: -90.414
flat angles P-C4'-P energy: -61.407
tors. eta vs tors. theta energy: -133.383
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: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1289.813400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.813400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.813400 (E_RNA)
where:
Base-Base interactions energy: -880.318
where: short stacking energy: -368.261
Base-Backbone interact. energy: -1.093
local terms energy: -408.402147
where:
bonds (distance) C4'-P energy: -73.535
bonds (distance) P-C4' energy: -74.704
flat angles C4'-P-C4' energy: -88.565
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -111.698
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: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1228.108501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.108501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.108501 (E_RNA)
where:
Base-Base interactions energy: -832.403
where: short stacking energy: -364.578
Base-Backbone interact. energy: -0.024
local terms energy: -395.681663
where:
bonds (distance) C4'-P energy: -72.032
bonds (distance) P-C4' energy: -73.004
flat angles C4'-P-C4' energy: -84.302
flat angles P-C4'-P energy: -50.093
tors. eta vs tors. theta energy: -116.252
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: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1162.694436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.694436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.694436 (E_RNA)
where:
Base-Base interactions energy: -777.381
where: short stacking energy: -311.159
Base-Backbone interact. energy: -2.838
local terms energy: -382.474993
where:
bonds (distance) C4'-P energy: -71.012
bonds (distance) P-C4' energy: -77.239
flat angles C4'-P-C4' energy: -83.492
flat angles P-C4'-P energy: -44.710
tors. eta vs tors. theta energy: -106.021
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: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1097.736885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.736885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.736885 (E_RNA)
where:
Base-Base interactions energy: -740.394
where: short stacking energy: -297.182
Base-Backbone interact. energy: 0.733
local terms energy: -358.075577
where:
bonds (distance) C4'-P energy: -79.598
bonds (distance) P-C4' energy: -57.294
flat angles C4'-P-C4' energy: -71.181
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -97.661
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: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -850.468284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.468284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.468284 (E_RNA)
where:
Base-Base interactions energy: -529.711
where: short stacking energy: -250.000
Base-Backbone interact. energy: 0.499
local terms energy: -321.256517
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -81.326
flat angles C4'-P-C4' energy: -76.199
flat angles P-C4'-P energy: -49.260
tors. eta vs tors. theta energy: -61.692
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: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -733.712827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.712827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.712827 (E_RNA)
where:
Base-Base interactions energy: -453.587
where: short stacking energy: -218.712
Base-Backbone interact. energy: -2.095
local terms energy: -278.030788
where:
bonds (distance) C4'-P energy: -73.630
bonds (distance) P-C4' energy: -58.369
flat angles C4'-P-C4' energy: -68.390
flat angles P-C4'-P energy: -34.133
tors. eta vs tors. theta energy: -43.509
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -331.127326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.127326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.127326 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -97.816
Base-Backbone interact. energy: 0.165
local terms energy: -204.667064
where:
bonds (distance) C4'-P energy: -59.658
bonds (distance) P-C4' energy: -64.997
flat angles C4'-P-C4' energy: -63.184
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: 23.434
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: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -320.632133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.632133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.632133 (E_RNA)
where:
Base-Base interactions energy: -120.774
where: short stacking energy: -106.091
Base-Backbone interact. energy: -0.917
local terms energy: -198.941055
where:
bonds (distance) C4'-P energy: -59.100
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -0.575
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: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1405.307295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.307295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.307295 (E_RNA)
where:
Base-Base interactions energy: -953.866
where: short stacking energy: -390.649
Base-Backbone interact. energy: -0.074
local terms energy: -451.367151
where:
bonds (distance) C4'-P energy: -81.169
bonds (distance) P-C4' energy: -87.599
flat angles C4'-P-C4' energy: -95.039
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -132.254
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: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1310.368917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.368917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.368917 (E_RNA)
where:
Base-Base interactions energy: -890.678
where: short stacking energy: -363.310
Base-Backbone interact. energy: -1.453
local terms energy: -418.238160
where:
bonds (distance) C4'-P energy: -77.659
bonds (distance) P-C4' energy: -86.594
flat angles C4'-P-C4' energy: -91.235
flat angles P-C4'-P energy: -57.930
tors. eta vs tors. theta energy: -104.820
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: 328
Temperature: 1.000000
Total energy: -1320.805096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.805096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.805096 (E_RNA)
where:
Base-Base interactions energy: -886.052
where: short stacking energy: -358.093
Base-Backbone interact. energy: -2.046
local terms energy: -432.707293
where:
bonds (distance) C4'-P energy: -86.039
bonds (distance) P-C4' energy: -76.760
flat angles C4'-P-C4' energy: -94.825
flat angles P-C4'-P energy: -60.481
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: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1195.715790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.715790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.715790 (E_RNA)
where:
Base-Base interactions energy: -796.432
where: short stacking energy: -323.138
Base-Backbone interact. energy: -0.029
local terms energy: -399.255200
where:
bonds (distance) C4'-P energy: -73.890
bonds (distance) P-C4' energy: -67.540
flat angles C4'-P-C4' energy: -87.675
flat angles P-C4'-P energy: -62.804
tors. eta vs tors. theta energy: -107.346
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1134.937486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.937486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.937486 (E_RNA)
where:
Base-Base interactions energy: -758.614
where: short stacking energy: -328.605
Base-Backbone interact. energy: -0.866
local terms energy: -375.457614
where:
bonds (distance) C4'-P energy: -69.570
bonds (distance) P-C4' energy: -73.585
flat angles C4'-P-C4' energy: -72.838
flat angles P-C4'-P energy: -54.420
tors. eta vs tors. theta energy: -105.045
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: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1080.862694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.862694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.862694 (E_RNA)
where:
Base-Base interactions energy: -738.021
where: short stacking energy: -307.576
Base-Backbone interact. energy: -0.530
local terms energy: -342.311834
where:
bonds (distance) C4'-P energy: -60.470
bonds (distance) P-C4' energy: -74.215
flat angles C4'-P-C4' energy: -75.893
flat angles P-C4'-P energy: -39.717
tors. eta vs tors. theta energy: -92.017
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: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -833.278023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.278023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.278023 (E_RNA)
where:
Base-Base interactions energy: -498.643
where: short stacking energy: -240.276
Base-Backbone interact. energy: -0.486
local terms energy: -334.149933
where:
bonds (distance) C4'-P energy: -72.040
bonds (distance) P-C4' energy: -69.257
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -48.030
tors. eta vs tors. theta energy: -76.618
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: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -695.008461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.008461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.008461 (E_RNA)
where:
Base-Base interactions energy: -428.660
where: short stacking energy: -184.576
Base-Backbone interact. energy: 1.319
local terms energy: -267.667120
where:
bonds (distance) C4'-P energy: -74.385
bonds (distance) P-C4' energy: -54.223
flat angles C4'-P-C4' energy: -67.467
flat angles P-C4'-P energy: -35.688
tors. eta vs tors. theta energy: -35.903
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -337.374616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.374616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.374616 (E_RNA)
where:
Base-Base interactions energy: -125.036
where: short stacking energy: -96.414
Base-Backbone interact. energy: 0.960
local terms energy: -213.299107
where:
bonds (distance) C4'-P energy: -67.865
bonds (distance) P-C4' energy: -75.862
flat angles C4'-P-C4' energy: -53.090
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: 13.660
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: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -346.674644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.674644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.674644 (E_RNA)
where:
Base-Base interactions energy: -130.303
where: short stacking energy: -96.620
Base-Backbone interact. energy: -0.693
local terms energy: -215.678809
where:
bonds (distance) C4'-P energy: -60.725
bonds (distance) P-C4' energy: -71.976
flat angles C4'-P-C4' energy: -46.280
flat angles P-C4'-P energy: -41.616
tors. eta vs tors. theta energy: 4.918
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: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1413.904051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.904051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.904051 (E_RNA)
where:
Base-Base interactions energy: -945.537
where: short stacking energy: -385.624
Base-Backbone interact. energy: -0.407
local terms energy: -467.960480
where:
bonds (distance) C4'-P energy: -91.961
bonds (distance) P-C4' energy: -84.745
flat angles C4'-P-C4' energy: -87.424
flat angles P-C4'-P energy: -67.842
tors. eta vs tors. theta energy: -135.989
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: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1340.375751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.375751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.375751 (E_RNA)
where:
Base-Base interactions energy: -934.459
where: short stacking energy: -378.342
Base-Backbone interact. energy: -0.107
local terms energy: -405.810148
where:
bonds (distance) C4'-P energy: -71.243
bonds (distance) P-C4' energy: -85.096
flat angles C4'-P-C4' energy: -82.746
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -116.000
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: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1287.997558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.997558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.997558 (E_RNA)
where:
Base-Base interactions energy: -879.984
where: short stacking energy: -374.602
Base-Backbone interact. energy: 5.652
local terms energy: -413.664965
where:
bonds (distance) C4'-P energy: -80.965
bonds (distance) P-C4' energy: -75.618
flat angles C4'-P-C4' energy: -93.241
flat angles P-C4'-P energy: -54.981
tors. eta vs tors. theta energy: -108.860
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: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1159.135939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.135939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.135939 (E_RNA)
where:
Base-Base interactions energy: -786.194
where: short stacking energy: -339.646
Base-Backbone interact. energy: 0.063
local terms energy: -373.004841
where:
bonds (distance) C4'-P energy: -65.094
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -88.780
flat angles P-C4'-P energy: -55.732
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: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1174.673911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.673911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.673911 (E_RNA)
where:
Base-Base interactions energy: -795.956
where: short stacking energy: -337.676
Base-Backbone interact. energy: 2.075
local terms energy: -380.792678
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -71.224
flat angles C4'-P-C4' energy: -94.285
flat angles P-C4'-P energy: -48.705
tors. eta vs tors. theta energy: -108.980
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: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1071.800845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.800845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.800845 (E_RNA)
where:
Base-Base interactions energy: -701.726
where: short stacking energy: -293.927
Base-Backbone interact. energy: -1.247
local terms energy: -368.827405
where:
bonds (distance) C4'-P energy: -70.189
bonds (distance) P-C4' energy: -73.973
flat angles C4'-P-C4' energy: -75.581
flat angles P-C4'-P energy: -57.707
tors. eta vs tors. theta energy: -91.377
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -757.262719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.262719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.262719 (E_RNA)
where:
Base-Base interactions energy: -464.000
where: short stacking energy: -218.971
Base-Backbone interact. energy: 7.555
local terms energy: -300.817761
where:
bonds (distance) C4'-P energy: -63.688
bonds (distance) P-C4' energy: -74.914
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -35.031
tors. eta vs tors. theta energy: -50.280
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: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -674.854700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.854700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.854700 (E_RNA)
where:
Base-Base interactions energy: -415.412
where: short stacking energy: -188.621
Base-Backbone interact. energy: 0.371
local terms energy: -259.813133
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -77.998
flat angles C4'-P-C4' energy: -63.224
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -27.515
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: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -360.301105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.301105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.301105 (E_RNA)
where:
Base-Base interactions energy: -107.867
where: short stacking energy: -88.387
Base-Backbone interact. energy: -0.688
local terms energy: -251.745818
where:
bonds (distance) C4'-P energy: -76.106
bonds (distance) P-C4' energy: -74.403
flat angles C4'-P-C4' energy: -63.963
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -3.350
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: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -357.162607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.162607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.162607 (E_RNA)
where:
Base-Base interactions energy: -129.507
where: short stacking energy: -84.333
Base-Backbone interact. energy: 1.469
local terms energy: -229.124340
where:
bonds (distance) C4'-P energy: -73.131
bonds (distance) P-C4' energy: -72.540
flat angles C4'-P-C4' energy: -60.992
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: 11.472
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: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1433.000043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.000043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.000043 (E_RNA)
where:
Base-Base interactions energy: -999.227
where: short stacking energy: -408.058
Base-Backbone interact. energy: -0.845
local terms energy: -432.928424
where:
bonds (distance) C4'-P energy: -70.108
bonds (distance) P-C4' energy: -81.882
flat angles C4'-P-C4' energy: -96.779
flat angles P-C4'-P energy: -54.204
tors. eta vs tors. theta energy: -129.956
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1343.176456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.176456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.176456 (E_RNA)
where:
Base-Base interactions energy: -921.095
where: short stacking energy: -368.090
Base-Backbone interact. energy: -2.564
local terms energy: -419.517071
where:
bonds (distance) C4'-P energy: -84.728
bonds (distance) P-C4' energy: -72.421
flat angles C4'-P-C4' energy: -90.713
flat angles P-C4'-P energy: -58.369
tors. eta vs tors. theta energy: -113.287
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: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1277.424501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.424501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.424501 (E_RNA)
where:
Base-Base interactions energy: -889.773
where: short stacking energy: -376.584
Base-Backbone interact. energy: -1.828
local terms energy: -385.824039
where:
bonds (distance) C4'-P energy: -69.987
bonds (distance) P-C4' energy: -79.105
flat angles C4'-P-C4' energy: -78.094
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -108.996
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: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1169.764475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.764475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.764475 (E_RNA)
where:
Base-Base interactions energy: -761.497
where: short stacking energy: -317.354
Base-Backbone interact. energy: -2.341
local terms energy: -405.926615
where:
bonds (distance) C4'-P energy: -82.167
bonds (distance) P-C4' energy: -78.219
flat angles C4'-P-C4' energy: -85.867
flat angles P-C4'-P energy: -56.416
tors. eta vs tors. theta energy: -103.257
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: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1135.381215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.381215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.381215 (E_RNA)
where:
Base-Base interactions energy: -777.308
where: short stacking energy: -331.590
Base-Backbone interact. energy: -2.805
local terms energy: -355.269017
where:
bonds (distance) C4'-P energy: -72.010
bonds (distance) P-C4' energy: -63.583
flat angles C4'-P-C4' energy: -83.381
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -83.943
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: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1031.918869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.918869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.918869 (E_RNA)
where:
Base-Base interactions energy: -696.250
where: short stacking energy: -296.448
Base-Backbone interact. energy: -1.273
local terms energy: -334.396031
where:
bonds (distance) C4'-P energy: -75.414
bonds (distance) P-C4' energy: -62.032
flat angles C4'-P-C4' energy: -59.063
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -89.446
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: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -799.813876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.813876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.813876 (E_RNA)
where:
Base-Base interactions energy: -496.622
where: short stacking energy: -225.884
Base-Backbone interact. energy: -0.984
local terms energy: -302.208201
where:
bonds (distance) C4'-P energy: -67.482
bonds (distance) P-C4' energy: -70.721
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -40.446
tors. eta vs tors. theta energy: -59.641
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -689.139984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.139984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.139984 (E_RNA)
where:
Base-Base interactions energy: -450.838
where: short stacking energy: -208.201
Base-Backbone interact. energy: 1.471
local terms energy: -239.772962
where:
bonds (distance) C4'-P energy: -66.788
bonds (distance) P-C4' energy: -59.238
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: -34.182
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: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -369.840718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.840718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.840718 (E_RNA)
where:
Base-Base interactions energy: -180.703
where: short stacking energy: -103.406
Base-Backbone interact. energy: 4.191
local terms energy: -193.328684
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -66.549
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: 9.556
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -348.591012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.591012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.591012 (E_RNA)
where:
Base-Base interactions energy: -127.773
where: short stacking energy: -90.391
Base-Backbone interact. energy: -1.877
local terms energy: -218.940511
where:
bonds (distance) C4'-P energy: -74.835
bonds (distance) P-C4' energy: -76.674
flat angles C4'-P-C4' energy: -64.425
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: 23.436
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: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1428.130904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.130904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.130904 (E_RNA)
where:
Base-Base interactions energy: -967.690
where: short stacking energy: -402.530
Base-Backbone interact. energy: -1.303
local terms energy: -459.137172
where:
bonds (distance) C4'-P energy: -80.668
bonds (distance) P-C4' energy: -79.433
flat angles C4'-P-C4' energy: -94.564
flat angles P-C4'-P energy: -67.659
tors. eta vs tors. theta energy: -136.812
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: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1314.524918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.524918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.524918 (E_RNA)
where:
Base-Base interactions energy: -892.137
where: short stacking energy: -360.614
Base-Backbone interact. energy: -1.130
local terms energy: -421.257362
where:
bonds (distance) C4'-P energy: -79.426
bonds (distance) P-C4' energy: -79.951
flat angles C4'-P-C4' energy: -85.960
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -108.432
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: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1335.001418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.001418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.001418 (E_RNA)
where:
Base-Base interactions energy: -918.461
where: short stacking energy: -374.979
Base-Backbone interact. energy: -2.257
local terms energy: -414.283641
where:
bonds (distance) C4'-P energy: -80.335
bonds (distance) P-C4' energy: -77.971
flat angles C4'-P-C4' energy: -89.879
flat angles P-C4'-P energy: -48.113
tors. eta vs tors. theta energy: -117.986
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: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1171.375971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.375971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.375971 (E_RNA)
where:
Base-Base interactions energy: -781.824
where: short stacking energy: -329.028
Base-Backbone interact. energy: -1.597
local terms energy: -387.954988
where:
bonds (distance) C4'-P energy: -79.272
bonds (distance) P-C4' energy: -72.246
flat angles C4'-P-C4' energy: -91.742
flat angles P-C4'-P energy: -58.584
tors. eta vs tors. theta energy: -86.111
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: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1168.304506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.304506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.304506 (E_RNA)
where:
Base-Base interactions energy: -779.895
where: short stacking energy: -349.738
Base-Backbone interact. energy: -2.161
local terms energy: -386.248591
where:
bonds (distance) C4'-P energy: -61.334
bonds (distance) P-C4' energy: -73.134
flat angles C4'-P-C4' energy: -85.882
flat angles P-C4'-P energy: -55.800
tors. eta vs tors. theta energy: -110.099
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: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1022.339079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.339079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.339079 (E_RNA)
where:
Base-Base interactions energy: -694.205
where: short stacking energy: -296.465
Base-Backbone interact. energy: 1.774
local terms energy: -329.908217
where:
bonds (distance) C4'-P energy: -68.372
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -77.211
flat angles P-C4'-P energy: -41.234
tors. eta vs tors. theta energy: -83.461
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: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -717.812522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.812522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.812522 (E_RNA)
where:
Base-Base interactions energy: -413.639
where: short stacking energy: -205.028
Base-Backbone interact. energy: 0.052
local terms energy: -304.225997
where:
bonds (distance) C4'-P energy: -79.470
bonds (distance) P-C4' energy: -75.904
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -42.950
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -685.820328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.820328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.820328 (E_RNA)
where:
Base-Base interactions energy: -407.515
where: short stacking energy: -175.054
Base-Backbone interact. energy: -0.865
local terms energy: -277.440057
where:
bonds (distance) C4'-P energy: -73.431
bonds (distance) P-C4' energy: -66.018
flat angles C4'-P-C4' energy: -60.010
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -23.973
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: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -391.746437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.746437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.746437 (E_RNA)
where:
Base-Base interactions energy: -163.386
where: short stacking energy: -114.800
Base-Backbone interact. energy: 0.009
local terms energy: -228.369450
where:
bonds (distance) C4'-P energy: -62.321
bonds (distance) P-C4' energy: -78.416
flat angles C4'-P-C4' energy: -52.563
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: 5.226
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: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -321.842982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.842982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.842982 (E_RNA)
where:
Base-Base interactions energy: -114.057
where: short stacking energy: -81.052
Base-Backbone interact. energy: 0.438
local terms energy: -208.223982
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -67.909
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: 6.789
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: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1449.764932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.764932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.764932 (E_RNA)
where:
Base-Base interactions energy: -1000.723
where: short stacking energy: -416.432
Base-Backbone interact. energy: -0.958
local terms energy: -448.084311
where:
bonds (distance) C4'-P energy: -80.095
bonds (distance) P-C4' energy: -82.900
flat angles C4'-P-C4' energy: -94.900
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -132.721
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: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1317.614626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.614626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.614626 (E_RNA)
where:
Base-Base interactions energy: -911.957
where: short stacking energy: -362.792
Base-Backbone interact. energy: 1.433
local terms energy: -407.090330
where:
bonds (distance) C4'-P energy: -81.941
bonds (distance) P-C4' energy: -78.413
flat angles C4'-P-C4' energy: -80.406
flat angles P-C4'-P energy: -58.264
tors. eta vs tors. theta energy: -108.066
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1299.679805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.679805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.679805 (E_RNA)
where:
Base-Base interactions energy: -901.660
where: short stacking energy: -373.249
Base-Backbone interact. energy: 1.461
local terms energy: -399.480983
where:
bonds (distance) C4'-P energy: -73.471
bonds (distance) P-C4' energy: -68.456
flat angles C4'-P-C4' energy: -85.746
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -114.156
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: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1139.614463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.614463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.614463 (E_RNA)
where:
Base-Base interactions energy: -766.801
where: short stacking energy: -313.385
Base-Backbone interact. energy: -0.311
local terms energy: -372.502483
where:
bonds (distance) C4'-P energy: -80.660
bonds (distance) P-C4' energy: -75.073
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -82.983
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: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1159.225541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.225541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.225541 (E_RNA)
where:
Base-Base interactions energy: -773.930
where: short stacking energy: -342.283
Base-Backbone interact. energy: 3.122
local terms energy: -388.418006
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -80.040
flat angles C4'-P-C4' energy: -80.767
flat angles P-C4'-P energy: -65.306
tors. eta vs tors. theta energy: -103.976
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: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -988.997051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.997051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.997051 (E_RNA)
where:
Base-Base interactions energy: -655.626
where: short stacking energy: -290.987
Base-Backbone interact. energy: -0.667
local terms energy: -332.703211
where:
bonds (distance) C4'-P energy: -74.618
bonds (distance) P-C4' energy: -61.457
flat angles C4'-P-C4' energy: -68.829
flat angles P-C4'-P energy: -46.257
tors. eta vs tors. theta energy: -81.542
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: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -748.508179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.508179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.508179 (E_RNA)
where:
Base-Base interactions energy: -450.486
where: short stacking energy: -215.528
Base-Backbone interact. energy: -0.743
local terms energy: -297.279239
where:
bonds (distance) C4'-P energy: -54.279
bonds (distance) P-C4' energy: -75.308
flat angles C4'-P-C4' energy: -64.561
flat angles P-C4'-P energy: -51.174
tors. eta vs tors. theta energy: -51.957
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: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -730.768720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.768720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.768720 (E_RNA)
where:
Base-Base interactions energy: -432.387
where: short stacking energy: -230.409
Base-Backbone interact. energy: -2.369
local terms energy: -296.013020
where:
bonds (distance) C4'-P energy: -74.221
bonds (distance) P-C4' energy: -66.893
flat angles C4'-P-C4' energy: -71.644
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -44.527
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: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -369.096011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.096011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.096011 (E_RNA)
where:
Base-Base interactions energy: -154.774
where: short stacking energy: -114.083
Base-Backbone interact. energy: -0.794
local terms energy: -213.527171
where:
bonds (distance) C4'-P energy: -72.507
bonds (distance) P-C4' energy: -63.354
flat angles C4'-P-C4' energy: -49.905
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: 6.634
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: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -331.731960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.731960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.731960 (E_RNA)
where:
Base-Base interactions energy: -118.485
where: short stacking energy: -102.678
Base-Backbone interact. energy: 0.026
local terms energy: -213.272292
where:
bonds (distance) C4'-P energy: -72.162
bonds (distance) P-C4' energy: -61.691
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: 4.151
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: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1441.627173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.627173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.627173 (E_RNA)
where:
Base-Base interactions energy: -996.054
where: short stacking energy: -406.558
Base-Backbone interact. energy: -1.209
local terms energy: -444.363709
where:
bonds (distance) C4'-P energy: -83.592
bonds (distance) P-C4' energy: -77.279
flat angles C4'-P-C4' energy: -89.696
flat angles P-C4'-P energy: -62.740
tors. eta vs tors. theta energy: -131.057
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: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1326.069797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.069797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.069797 (E_RNA)
where:
Base-Base interactions energy: -908.339
where: short stacking energy: -385.977
Base-Backbone interact. energy: -0.515
local terms energy: -417.216298
where:
bonds (distance) C4'-P energy: -76.483
bonds (distance) P-C4' energy: -75.647
flat angles C4'-P-C4' energy: -84.660
flat angles P-C4'-P energy: -63.207
tors. eta vs tors. theta energy: -117.219
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: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1320.890897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.890897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.890897 (E_RNA)
where:
Base-Base interactions energy: -923.881
where: short stacking energy: -378.924
Base-Backbone interact. energy: -1.144
local terms energy: -395.866015
where:
bonds (distance) C4'-P energy: -71.866
bonds (distance) P-C4' energy: -79.499
flat angles C4'-P-C4' energy: -87.562
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -110.681
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: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1159.342310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.342310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.342310 (E_RNA)
where:
Base-Base interactions energy: -796.334
where: short stacking energy: -332.590
Base-Backbone interact. energy: -1.697
local terms energy: -361.311245
where:
bonds (distance) C4'-P energy: -83.418
bonds (distance) P-C4' energy: -66.108
flat angles C4'-P-C4' energy: -78.866
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -91.066
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: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1090.921291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.921291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.921291 (E_RNA)
where:
Base-Base interactions energy: -721.880
where: short stacking energy: -293.206
Base-Backbone interact. energy: -1.334
local terms energy: -367.706463
where:
bonds (distance) C4'-P energy: -64.898
bonds (distance) P-C4' energy: -72.087
flat angles C4'-P-C4' energy: -83.896
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -91.321
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: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -990.010409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.010409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.010409 (E_RNA)
where:
Base-Base interactions energy: -646.859
where: short stacking energy: -291.840
Base-Backbone interact. energy: 1.961
local terms energy: -345.112150
where:
bonds (distance) C4'-P energy: -61.053
bonds (distance) P-C4' energy: -78.506
flat angles C4'-P-C4' energy: -76.286
flat angles P-C4'-P energy: -50.278
tors. eta vs tors. theta energy: -78.990
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: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -718.897122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.897122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.897122 (E_RNA)
where:
Base-Base interactions energy: -423.292
where: short stacking energy: -201.822
Base-Backbone interact. energy: -1.867
local terms energy: -293.737169
where:
bonds (distance) C4'-P energy: -60.048
bonds (distance) P-C4' energy: -79.060
flat angles C4'-P-C4' energy: -72.581
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -43.158
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -661.174245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.174245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.174245 (E_RNA)
where:
Base-Base interactions energy: -393.283
where: short stacking energy: -197.731
Base-Backbone interact. energy: -1.060
local terms energy: -266.831137
where:
bonds (distance) C4'-P energy: -58.464
bonds (distance) P-C4' energy: -63.776
flat angles C4'-P-C4' energy: -68.551
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -38.004
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -357.032521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.032521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.032521 (E_RNA)
where:
Base-Base interactions energy: -151.751
where: short stacking energy: -92.329
Base-Backbone interact. energy: 1.644
local terms energy: -206.925282
where:
bonds (distance) C4'-P energy: -60.744
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -29.748
tors. eta vs tors. theta energy: 2.200
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: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -346.244014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.244014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.244014 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -93.123
Base-Backbone interact. energy: -2.269
local terms energy: -219.681833
where:
bonds (distance) C4'-P energy: -65.158
bonds (distance) P-C4' energy: -69.435
flat angles C4'-P-C4' energy: -63.709
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: 14.216
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1412.962781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.962781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.962781 (E_RNA)
where:
Base-Base interactions energy: -962.547
where: short stacking energy: -402.818
Base-Backbone interact. energy: -0.491
local terms energy: -449.925062
where:
bonds (distance) C4'-P energy: -81.121
bonds (distance) P-C4' energy: -79.109
flat angles C4'-P-C4' energy: -91.595
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -134.412
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1325.716509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.716509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.716509 (E_RNA)
where:
Base-Base interactions energy: -930.582
where: short stacking energy: -372.290
Base-Backbone interact. energy: -0.688
local terms energy: -394.445769
where:
bonds (distance) C4'-P energy: -76.725
bonds (distance) P-C4' energy: -67.066
flat angles C4'-P-C4' energy: -84.458
flat angles P-C4'-P energy: -53.623
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: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1326.781864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.781864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.781864 (E_RNA)
where:
Base-Base interactions energy: -925.555
where: short stacking energy: -399.758
Base-Backbone interact. energy: -1.442
local terms energy: -399.784305
where:
bonds (distance) C4'-P energy: -70.918
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -86.617
flat angles P-C4'-P energy: -56.298
tors. eta vs tors. theta energy: -119.170
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: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1165.751731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.751731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.751731 (E_RNA)
where:
Base-Base interactions energy: -804.149
where: short stacking energy: -333.121
Base-Backbone interact. energy: -0.938
local terms energy: -360.664668
where:
bonds (distance) C4'-P energy: -61.126
bonds (distance) P-C4' energy: -76.145
flat angles C4'-P-C4' energy: -77.652
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -97.533
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: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1158.835776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.835776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.835776 (E_RNA)
where:
Base-Base interactions energy: -794.540
where: short stacking energy: -345.541
Base-Backbone interact. energy: -0.141
local terms energy: -364.154509
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -79.248
flat angles C4'-P-C4' energy: -82.850
flat angles P-C4'-P energy: -54.911
tors. eta vs tors. theta energy: -95.760
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: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1000.467890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.467890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.467890 (E_RNA)
where:
Base-Base interactions energy: -655.688
where: short stacking energy: -278.761
Base-Backbone interact. energy: 0.872
local terms energy: -345.651594
where:
bonds (distance) C4'-P energy: -74.757
bonds (distance) P-C4' energy: -66.440
flat angles C4'-P-C4' energy: -84.440
flat angles P-C4'-P energy: -50.308
tors. eta vs tors. theta energy: -69.707
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: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -702.624221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.624221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.624221 (E_RNA)
where:
Base-Base interactions energy: -409.318
where: short stacking energy: -194.410
Base-Backbone interact. energy: -1.984
local terms energy: -291.322086
where:
bonds (distance) C4'-P energy: -57.922
bonds (distance) P-C4' energy: -73.507
flat angles C4'-P-C4' energy: -69.279
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -44.286
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: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -682.719982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.719982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.719982 (E_RNA)
where:
Base-Base interactions energy: -416.389
where: short stacking energy: -165.949
Base-Backbone interact. energy: -3.321
local terms energy: -263.009344
where:
bonds (distance) C4'-P energy: -75.715
bonds (distance) P-C4' energy: -67.830
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -30.468
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: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -382.253320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.253320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.253320 (E_RNA)
where:
Base-Base interactions energy: -144.605
where: short stacking energy: -101.006
Base-Backbone interact. energy: -0.961
local terms energy: -236.687352
where:
bonds (distance) C4'-P energy: -74.179
bonds (distance) P-C4' energy: -65.392
flat angles C4'-P-C4' energy: -55.161
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -3.449
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: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -309.983207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.983207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.983207 (E_RNA)
where:
Base-Base interactions energy: -91.267
where: short stacking energy: -64.904
Base-Backbone interact. energy: -1.274
local terms energy: -217.442015
where:
bonds (distance) C4'-P energy: -74.802
bonds (distance) P-C4' energy: -75.167
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: 15.809
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: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1406.050052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.050052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.050052 (E_RNA)
where:
Base-Base interactions energy: -980.963
where: short stacking energy: -409.595
Base-Backbone interact. energy: 1.981
local terms energy: -427.068497
where:
bonds (distance) C4'-P energy: -82.295
bonds (distance) P-C4' energy: -71.415
flat angles C4'-P-C4' energy: -85.240
flat angles P-C4'-P energy: -56.947
tors. eta vs tors. theta energy: -131.172
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: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1368.261508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.261508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.261508 (E_RNA)
where:
Base-Base interactions energy: -939.269
where: short stacking energy: -379.963
Base-Backbone interact. energy: -3.026
local terms energy: -425.966514
where:
bonds (distance) C4'-P energy: -79.942
bonds (distance) P-C4' energy: -80.265
flat angles C4'-P-C4' energy: -91.786
flat angles P-C4'-P energy: -59.685
tors. eta vs tors. theta energy: -114.289
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: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1300.584524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.584524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.584524 (E_RNA)
where:
Base-Base interactions energy: -893.702
where: short stacking energy: -361.482
Base-Backbone interact. energy: -1.886
local terms energy: -404.995563
where:
bonds (distance) C4'-P energy: -83.220
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -88.784
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -110.536
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: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1157.706319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.706319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.706319 (E_RNA)
where:
Base-Base interactions energy: -789.331
where: short stacking energy: -338.034
Base-Backbone interact. energy: -2.018
local terms energy: -366.357400
where:
bonds (distance) C4'-P energy: -82.797
bonds (distance) P-C4' energy: -70.840
flat angles C4'-P-C4' energy: -80.294
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -94.007
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: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1162.938272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.938272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.938272 (E_RNA)
where:
Base-Base interactions energy: -780.671
where: short stacking energy: -324.701
Base-Backbone interact. energy: -0.574
local terms energy: -381.693788
where:
bonds (distance) C4'-P energy: -77.166
bonds (distance) P-C4' energy: -79.145
flat angles C4'-P-C4' energy: -84.682
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -90.448
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: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -999.772602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.772602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.772602 (E_RNA)
where:
Base-Base interactions energy: -658.054
where: short stacking energy: -285.749
Base-Backbone interact. energy: -3.845
local terms energy: -337.873983
where:
bonds (distance) C4'-P energy: -67.496
bonds (distance) P-C4' energy: -62.875
flat angles C4'-P-C4' energy: -79.149
flat angles P-C4'-P energy: -55.188
tors. eta vs tors. theta energy: -73.166
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -750.390224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.390224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.390224 (E_RNA)
where:
Base-Base interactions energy: -465.593
where: short stacking energy: -207.848
Base-Backbone interact. energy: -0.905
local terms energy: -283.891866
where:
bonds (distance) C4'-P energy: -73.265
bonds (distance) P-C4' energy: -66.979
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -44.327
tors. eta vs tors. theta energy: -38.657
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: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -637.284076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.284076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.284076 (E_RNA)
where:
Base-Base interactions energy: -365.196
where: short stacking energy: -180.943
Base-Backbone interact. energy: 0.960
local terms energy: -273.048156
where:
bonds (distance) C4'-P energy: -64.872
bonds (distance) P-C4' energy: -73.512
flat angles C4'-P-C4' energy: -65.510
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -31.618
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: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -353.516045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.516045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.516045 (E_RNA)
where:
Base-Base interactions energy: -129.836
where: short stacking energy: -107.921
Base-Backbone interact. energy: 1.474
local terms energy: -225.153881
where:
bonds (distance) C4'-P energy: -61.546
bonds (distance) P-C4' energy: -73.105
flat angles C4'-P-C4' energy: -53.387
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -3.198
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: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -331.162238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.162238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.162238 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -93.188
Base-Backbone interact. energy: 1.011
local terms energy: -206.648379
where:
bonds (distance) C4'-P energy: -55.124
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: 9.750
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: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1412.379282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.379282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.379282 (E_RNA)
where:
Base-Base interactions energy: -972.911
where: short stacking energy: -408.831
Base-Backbone interact. energy: -0.898
local terms energy: -438.570403
where:
bonds (distance) C4'-P energy: -84.667
bonds (distance) P-C4' energy: -70.220
flat angles C4'-P-C4' energy: -95.396
flat angles P-C4'-P energy: -61.052
tors. eta vs tors. theta energy: -127.236
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: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1348.487333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.487333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.487333 (E_RNA)
where:
Base-Base interactions energy: -948.377
where: short stacking energy: -381.994
Base-Backbone interact. energy: -2.773
local terms energy: -397.337154
where:
bonds (distance) C4'-P energy: -71.540
bonds (distance) P-C4' energy: -72.069
flat angles C4'-P-C4' energy: -83.609
flat angles P-C4'-P energy: -50.721
tors. eta vs tors. theta energy: -119.398
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: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1298.456935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.456935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.456935 (E_RNA)
where:
Base-Base interactions energy: -895.899
where: short stacking energy: -367.831
Base-Backbone interact. energy: -3.326
local terms energy: -399.232773
where:
bonds (distance) C4'-P energy: -68.440
bonds (distance) P-C4' energy: -75.916
flat angles C4'-P-C4' energy: -84.825
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: -110.417
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: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1158.537520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.537520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.537520 (E_RNA)
where:
Base-Base interactions energy: -809.782
where: short stacking energy: -337.213
Base-Backbone interact. energy: 0.167
local terms energy: -348.921942
where:
bonds (distance) C4'-P energy: -72.548
bonds (distance) P-C4' energy: -69.561
flat angles C4'-P-C4' energy: -73.648
flat angles P-C4'-P energy: -45.021
tors. eta vs tors. theta energy: -88.144
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: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1109.696318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.696318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.696318 (E_RNA)
where:
Base-Base interactions energy: -763.853
where: short stacking energy: -316.216
Base-Backbone interact. energy: 0.039
local terms energy: -345.882156
where:
bonds (distance) C4'-P energy: -67.075
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -71.921
flat angles P-C4'-P energy: -49.274
tors. eta vs tors. theta energy: -92.449
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: 336
Temperature: 1.150000
Total energy: -979.945551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.945551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.945551 (E_RNA)
where:
Base-Base interactions energy: -631.681
where: short stacking energy: -267.022
Base-Backbone interact. energy: -1.449
local terms energy: -346.815845
where:
bonds (distance) C4'-P energy: -63.863
bonds (distance) P-C4' energy: -80.453
flat angles C4'-P-C4' energy: -76.584
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -73.936
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: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -752.527631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.527631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.527631 (E_RNA)
where:
Base-Base interactions energy: -469.867
where: short stacking energy: -198.858
Base-Backbone interact. energy: -2.386
local terms energy: -280.274524
where:
bonds (distance) C4'-P energy: -60.950
bonds (distance) P-C4' energy: -77.698
flat angles C4'-P-C4' energy: -63.714
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -31.368
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: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -654.106222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.106222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.106222 (E_RNA)
where:
Base-Base interactions energy: -368.266
where: short stacking energy: -155.816
Base-Backbone interact. energy: -2.760
local terms energy: -283.080479
where:
bonds (distance) C4'-P energy: -70.064
bonds (distance) P-C4' energy: -74.780
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -49.021
tors. eta vs tors. theta energy: -25.952
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -345.600253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.600253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.600253 (E_RNA)
where:
Base-Base interactions energy: -113.105
where: short stacking energy: -99.316
Base-Backbone interact. energy: 3.547
local terms energy: -236.042487
where:
bonds (distance) C4'-P energy: -74.007
bonds (distance) P-C4' energy: -82.821
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -29.829
tors. eta vs tors. theta energy: 9.303
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -316.456789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.456789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.456789 (E_RNA)
where:
Base-Base interactions energy: -113.469
where: short stacking energy: -97.602
Base-Backbone interact. energy: -0.769
local terms energy: -202.219463
where:
bonds (distance) C4'-P energy: -68.845
bonds (distance) P-C4' energy: -55.616
flat angles C4'-P-C4' energy: -57.623
flat angles P-C4'-P energy: -30.909
tors. eta vs tors. theta energy: 10.774
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: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1417.779592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.779592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.779592 (E_RNA)
where:
Base-Base interactions energy: -978.178
where: short stacking energy: -407.062
Base-Backbone interact. energy: -0.864
local terms energy: -438.738415
where:
bonds (distance) C4'-P energy: -75.311
bonds (distance) P-C4' energy: -83.907
flat angles C4'-P-C4' energy: -87.707
flat angles P-C4'-P energy: -61.536
tors. eta vs tors. theta energy: -130.277
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: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1355.292705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.292705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.292705 (E_RNA)
where:
Base-Base interactions energy: -930.703
where: short stacking energy: -388.605
Base-Backbone interact. energy: -2.599
local terms energy: -421.991216
where:
bonds (distance) C4'-P energy: -79.454
bonds (distance) P-C4' energy: -78.133
flat angles C4'-P-C4' energy: -83.196
flat angles P-C4'-P energy: -67.370
tors. eta vs tors. theta energy: -113.838
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: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1302.055170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.055170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.055170 (E_RNA)
where:
Base-Base interactions energy: -882.009
where: short stacking energy: -362.693
Base-Backbone interact. energy: -0.895
local terms energy: -419.151112
where:
bonds (distance) C4'-P energy: -77.902
bonds (distance) P-C4' energy: -80.348
flat angles C4'-P-C4' energy: -88.197
flat angles P-C4'-P energy: -65.003
tors. eta vs tors. theta energy: -107.701
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: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1152.816158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.816158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.816158 (E_RNA)
where:
Base-Base interactions energy: -791.788
where: short stacking energy: -351.330
Base-Backbone interact. energy: -0.239
local terms energy: -360.789981
where:
bonds (distance) C4'-P energy: -69.185
bonds (distance) P-C4' energy: -69.485
flat angles C4'-P-C4' energy: -82.015
flat angles P-C4'-P energy: -44.319
tors. eta vs tors. theta energy: -95.787
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: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1136.879766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.879766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.879766 (E_RNA)
where:
Base-Base interactions energy: -784.340
where: short stacking energy: -339.643
Base-Backbone interact. energy: 0.619
local terms energy: -353.158435
where:
bonds (distance) C4'-P energy: -74.547
bonds (distance) P-C4' energy: -62.910
flat angles C4'-P-C4' energy: -68.812
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -104.443
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: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1007.665942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.665942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.665942 (E_RNA)
where:
Base-Base interactions energy: -692.460
where: short stacking energy: -295.736
Base-Backbone interact. energy: -4.368
local terms energy: -310.838237
where:
bonds (distance) C4'-P energy: -58.114
bonds (distance) P-C4' energy: -58.834
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: -75.192
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: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -782.479357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.479357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.479357 (E_RNA)
where:
Base-Base interactions energy: -487.989
where: short stacking energy: -219.075
Base-Backbone interact. energy: -1.707
local terms energy: -292.783612
where:
bonds (distance) C4'-P energy: -69.002
bonds (distance) P-C4' energy: -63.360
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -49.898
tors. eta vs tors. theta energy: -46.285
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: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -672.489772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.489772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.489772 (E_RNA)
where:
Base-Base interactions energy: -403.530
where: short stacking energy: -188.084
Base-Backbone interact. energy: 0.180
local terms energy: -269.140065
where:
bonds (distance) C4'-P energy: -60.182
bonds (distance) P-C4' energy: -69.653
flat angles C4'-P-C4' energy: -79.731
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -19.931
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: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -367.297519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.297519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.297519 (E_RNA)
where:
Base-Base interactions energy: -147.478
where: short stacking energy: -119.054
Base-Backbone interact. energy: -3.561
local terms energy: -216.258350
where:
bonds (distance) C4'-P energy: -51.512
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -56.431
flat angles P-C4'-P energy: -42.250
tors. eta vs tors. theta energy: 6.646
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: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -308.913948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.913948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.913948 (E_RNA)
where:
Base-Base interactions energy: -105.289
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.917
local terms energy: -202.707456
where:
bonds (distance) C4'-P energy: -58.380
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -55.626
flat angles P-C4'-P energy: -36.390
tors. eta vs tors. theta energy: 18.621
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: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1418.873113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.873113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.873113 (E_RNA)
where:
Base-Base interactions energy: -995.725
where: short stacking energy: -403.027
Base-Backbone interact. energy: 0.619
local terms energy: -423.767534
where:
bonds (distance) C4'-P energy: -67.210
bonds (distance) P-C4' energy: -82.169
flat angles C4'-P-C4' energy: -83.176
flat angles P-C4'-P energy: -54.515
tors. eta vs tors. theta energy: -136.698
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: 338
Temperature: 0.950000
Total energy: -1342.952463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.952463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.952463 (E_RNA)
where:
Base-Base interactions energy: -921.971
where: short stacking energy: -385.961
Base-Backbone interact. energy: -0.472
local terms energy: -420.508841
where:
bonds (distance) C4'-P energy: -73.971
bonds (distance) P-C4' energy: -73.896
flat angles C4'-P-C4' energy: -93.504
flat angles P-C4'-P energy: -63.187
tors. eta vs tors. theta energy: -115.952
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: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1291.131587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.131587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.131587 (E_RNA)
where:
Base-Base interactions energy: -881.341
where: short stacking energy: -370.378
Base-Backbone interact. energy: 0.483
local terms energy: -410.273479
where:
bonds (distance) C4'-P energy: -75.741
bonds (distance) P-C4' energy: -71.478
flat angles C4'-P-C4' energy: -99.985
flat angles P-C4'-P energy: -50.607
tors. eta vs tors. theta energy: -112.462
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: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1147.201952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.201952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.201952 (E_RNA)
where:
Base-Base interactions energy: -776.793
where: short stacking energy: -334.847
Base-Backbone interact. energy: -1.511
local terms energy: -368.898124
where:
bonds (distance) C4'-P energy: -77.528
bonds (distance) P-C4' energy: -64.407
flat angles C4'-P-C4' energy: -83.736
flat angles P-C4'-P energy: -58.417
tors. eta vs tors. theta energy: -84.811
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: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1148.388870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.388870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.388870 (E_RNA)
where:
Base-Base interactions energy: -790.714
where: short stacking energy: -330.053
Base-Backbone interact. energy: -1.356
local terms energy: -356.318405
where:
bonds (distance) C4'-P energy: -63.615
bonds (distance) P-C4' energy: -66.079
flat angles C4'-P-C4' energy: -76.366
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -101.616
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: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -956.055846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.055846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.055846 (E_RNA)
where:
Base-Base interactions energy: -628.593
where: short stacking energy: -251.026
Base-Backbone interact. energy: -0.092
local terms energy: -327.371166
where:
bonds (distance) C4'-P energy: -70.137
bonds (distance) P-C4' energy: -75.571
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -68.106
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: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -789.569866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.569866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.569866 (E_RNA)
where:
Base-Base interactions energy: -497.345
where: short stacking energy: -240.390
Base-Backbone interact. energy: -1.035
local terms energy: -291.190546
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -64.203
flat angles C4'-P-C4' energy: -72.997
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -60.946
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: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -659.366422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.366422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.366422 (E_RNA)
where:
Base-Base interactions energy: -382.995
where: short stacking energy: -180.090
Base-Backbone interact. energy: -0.893
local terms energy: -275.477883
where:
bonds (distance) C4'-P energy: -69.731
bonds (distance) P-C4' energy: -62.836
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -30.877
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: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -366.947495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.947495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.947495 (E_RNA)
where:
Base-Base interactions energy: -137.400
where: short stacking energy: -120.621
Base-Backbone interact. energy: 0.418
local terms energy: -229.964680
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -75.450
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -4.893
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: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -353.371473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.371473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.371473 (E_RNA)
where:
Base-Base interactions energy: -134.892
where: short stacking energy: -75.187
Base-Backbone interact. energy: 0.056
local terms energy: -218.536070
where:
bonds (distance) C4'-P energy: -70.176
bonds (distance) P-C4' energy: -78.150
flat angles C4'-P-C4' energy: -56.210
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: 3.944
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: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1395.492102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.492102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.492102 (E_RNA)
where:
Base-Base interactions energy: -949.310
where: short stacking energy: -402.322
Base-Backbone interact. energy: -2.273
local terms energy: -443.908700
where:
bonds (distance) C4'-P energy: -77.858
bonds (distance) P-C4' energy: -73.272
flat angles C4'-P-C4' energy: -102.640
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -136.922
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: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1368.146220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.146220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.146220 (E_RNA)
where:
Base-Base interactions energy: -932.097
where: short stacking energy: -392.686
Base-Backbone interact. energy: -1.538
local terms energy: -434.511038
where:
bonds (distance) C4'-P energy: -78.406
bonds (distance) P-C4' energy: -81.661
flat angles C4'-P-C4' energy: -91.977
flat angles P-C4'-P energy: -70.016
tors. eta vs tors. theta energy: -112.450
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: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1299.016886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.016886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.016886 (E_RNA)
where:
Base-Base interactions energy: -877.995
where: short stacking energy: -374.879
Base-Backbone interact. energy: -1.194
local terms energy: -419.827393
where:
bonds (distance) C4'-P energy: -81.255
bonds (distance) P-C4' energy: -88.596
flat angles C4'-P-C4' energy: -80.756
flat angles P-C4'-P energy: -58.405
tors. eta vs tors. theta energy: -110.815
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: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1167.701399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.701399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.701399 (E_RNA)
where:
Base-Base interactions energy: -794.570
where: short stacking energy: -319.950
Base-Backbone interact. energy: 0.434
local terms energy: -373.564793
where:
bonds (distance) C4'-P energy: -68.999
bonds (distance) P-C4' energy: -77.014
flat angles C4'-P-C4' energy: -74.462
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -88.555
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1114.084947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.084947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.084947 (E_RNA)
where:
Base-Base interactions energy: -738.659
where: short stacking energy: -327.699
Base-Backbone interact. energy: -0.959
local terms energy: -374.467597
where:
bonds (distance) C4'-P energy: -76.078
bonds (distance) P-C4' energy: -74.745
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -56.306
tors. eta vs tors. theta energy: -88.052
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: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -945.358628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.358628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.358628 (E_RNA)
where:
Base-Base interactions energy: -591.436
where: short stacking energy: -261.161
Base-Backbone interact. energy: -0.822
local terms energy: -353.100590
where:
bonds (distance) C4'-P energy: -66.443
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -82.094
flat angles P-C4'-P energy: -55.514
tors. eta vs tors. theta energy: -74.504
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: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -770.496265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.496265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.496265 (E_RNA)
where:
Base-Base interactions energy: -470.453
where: short stacking energy: -225.751
Base-Backbone interact. energy: -0.843
local terms energy: -299.199834
where:
bonds (distance) C4'-P energy: -68.820
bonds (distance) P-C4' energy: -73.118
flat angles C4'-P-C4' energy: -67.780
flat angles P-C4'-P energy: -49.571
tors. eta vs tors. theta energy: -39.910
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -666.414266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.414266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.414266 (E_RNA)
where:
Base-Base interactions energy: -393.852
where: short stacking energy: -172.754
Base-Backbone interact. energy: 1.278
local terms energy: -273.839739
where:
bonds (distance) C4'-P energy: -65.668
bonds (distance) P-C4' energy: -74.297
flat angles C4'-P-C4' energy: -57.674
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: -26.532
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: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -343.636509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.636509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.636509 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -89.950
Base-Backbone interact. energy: 0.783
local terms energy: -202.937811
where:
bonds (distance) C4'-P energy: -55.398
bonds (distance) P-C4' energy: -64.630
flat angles C4'-P-C4' energy: -57.697
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: 17.432
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: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -382.363430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.363430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.363430 (E_RNA)
where:
Base-Base interactions energy: -181.848
where: short stacking energy: -90.495
Base-Backbone interact. energy: 4.221
local terms energy: -204.736409
where:
bonds (distance) C4'-P energy: -66.981
bonds (distance) P-C4' energy: -68.613
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -40.097
tors. eta vs tors. theta energy: 6.552
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: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1421.090904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.090904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.090904 (E_RNA)
where:
Base-Base interactions energy: -969.773
where: short stacking energy: -401.013
Base-Backbone interact. energy: -2.704
local terms energy: -448.613499
where:
bonds (distance) C4'-P energy: -83.263
bonds (distance) P-C4' energy: -78.787
flat angles C4'-P-C4' energy: -95.429
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -136.730
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: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1381.163906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.163906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.163906 (E_RNA)
where:
Base-Base interactions energy: -960.811
where: short stacking energy: -393.357
Base-Backbone interact. energy: -2.867
local terms energy: -417.485599
where:
bonds (distance) C4'-P energy: -79.448
bonds (distance) P-C4' energy: -77.525
flat angles C4'-P-C4' energy: -79.612
flat angles P-C4'-P energy: -60.329
tors. eta vs tors. theta energy: -120.572
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: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1292.445171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.445171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.445171 (E_RNA)
where:
Base-Base interactions energy: -876.097
where: short stacking energy: -369.293
Base-Backbone interact. energy: -3.765
local terms energy: -412.583794
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -83.490
flat angles C4'-P-C4' energy: -86.279
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -108.200
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: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1168.729929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.729929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.729929 (E_RNA)
where:
Base-Base interactions energy: -810.521
where: short stacking energy: -340.618
Base-Backbone interact. energy: -1.844
local terms energy: -356.364829
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -78.195
flat angles C4'-P-C4' energy: -68.109
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -102.000
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: 340
Temperature: 1.100000
Total energy: -1142.411686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.411686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.411686 (E_RNA)
where:
Base-Base interactions energy: -769.652
where: short stacking energy: -338.671
Base-Backbone interact. energy: -2.526
local terms energy: -370.233655
where:
bonds (distance) C4'-P energy: -68.369
bonds (distance) P-C4' energy: -69.173
flat angles C4'-P-C4' energy: -70.665
flat angles P-C4'-P energy: -58.685
tors. eta vs tors. theta energy: -103.342
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: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -962.458960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.458960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.458960 (E_RNA)
where:
Base-Base interactions energy: -620.104
where: short stacking energy: -296.317
Base-Backbone interact. energy: 3.817
local terms energy: -346.172666
where:
bonds (distance) C4'-P energy: -70.041
bonds (distance) P-C4' energy: -60.885
flat angles C4'-P-C4' energy: -78.571
flat angles P-C4'-P energy: -53.571
tors. eta vs tors. theta energy: -83.104
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: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -792.446509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.446509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.446509 (E_RNA)
where:
Base-Base interactions energy: -504.561
where: short stacking energy: -246.325
Base-Backbone interact. energy: -1.696
local terms energy: -286.189257
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -63.067
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -43.031
tors. eta vs tors. theta energy: -54.812
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: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -662.215000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.215000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.215000 (E_RNA)
where:
Base-Base interactions energy: -406.696
where: short stacking energy: -184.099
Base-Backbone interact. energy: 1.291
local terms energy: -256.809894
where:
bonds (distance) C4'-P energy: -54.402
bonds (distance) P-C4' energy: -70.434
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -25.986
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: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -435.103399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.103399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.103399 (E_RNA)
where:
Base-Base interactions energy: -219.726
where: short stacking energy: -121.085
Base-Backbone interact. energy: 2.960
local terms energy: -218.337396
where:
bonds (distance) C4'-P energy: -68.515
bonds (distance) P-C4' energy: -68.081
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -18.543
tors. eta vs tors. theta energy: -4.082
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -335.463605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.463605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.463605 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -94.755
Base-Backbone interact. energy: 5.837
local terms energy: -216.625190
where:
bonds (distance) C4'-P energy: -57.077
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -67.331
flat angles P-C4'-P energy: -33.970
tors. eta vs tors. theta energy: 5.234
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: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1417.338128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.338128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.338128 (E_RNA)
where:
Base-Base interactions energy: -998.334
where: short stacking energy: -418.004
Base-Backbone interact. energy: -1.771
local terms energy: -417.232929
where:
bonds (distance) C4'-P energy: -73.398
bonds (distance) P-C4' energy: -79.971
flat angles C4'-P-C4' energy: -87.297
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: -130.140
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1353.686389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.686389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.686389 (E_RNA)
where:
Base-Base interactions energy: -931.134
where: short stacking energy: -396.481
Base-Backbone interact. energy: 0.298
local terms energy: -422.849778
where:
bonds (distance) C4'-P energy: -78.695
bonds (distance) P-C4' energy: -75.445
flat angles C4'-P-C4' energy: -82.191
flat angles P-C4'-P energy: -62.465
tors. eta vs tors. theta energy: -124.054
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: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1298.562886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.562886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.562886 (E_RNA)
where:
Base-Base interactions energy: -897.856
where: short stacking energy: -364.378
Base-Backbone interact. energy: -3.118
local terms energy: -397.588654
where:
bonds (distance) C4'-P energy: -71.052
bonds (distance) P-C4' energy: -84.934
flat angles C4'-P-C4' energy: -88.180
flat angles P-C4'-P energy: -49.489
tors. eta vs tors. theta energy: -103.934
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: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1158.717626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.717626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.717626 (E_RNA)
where:
Base-Base interactions energy: -776.350
where: short stacking energy: -328.934
Base-Backbone interact. energy: -1.888
local terms energy: -380.480003
where:
bonds (distance) C4'-P energy: -74.371
bonds (distance) P-C4' energy: -71.284
flat angles C4'-P-C4' energy: -89.090
flat angles P-C4'-P energy: -51.894
tors. eta vs tors. theta energy: -93.841
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: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1118.439650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.439650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.439650 (E_RNA)
where:
Base-Base interactions energy: -740.204
where: short stacking energy: -309.361
Base-Backbone interact. energy: 1.284
local terms energy: -379.519684
where:
bonds (distance) C4'-P energy: -74.261
bonds (distance) P-C4' energy: -74.290
flat angles C4'-P-C4' energy: -78.579
flat angles P-C4'-P energy: -63.735
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -959.068608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.068608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.068608 (E_RNA)
where:
Base-Base interactions energy: -614.963
where: short stacking energy: -273.191
Base-Backbone interact. energy: 0.548
local terms energy: -344.654420
where:
bonds (distance) C4'-P energy: -73.112
bonds (distance) P-C4' energy: -68.031
flat angles C4'-P-C4' energy: -74.920
flat angles P-C4'-P energy: -51.700
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: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -801.624365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.624365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.624365 (E_RNA)
where:
Base-Base interactions energy: -484.651
where: short stacking energy: -246.777
Base-Backbone interact. energy: -0.669
local terms energy: -316.304587
where:
bonds (distance) C4'-P energy: -70.215
bonds (distance) P-C4' energy: -63.792
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -47.245
tors. eta vs tors. theta energy: -61.983
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: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -696.743046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.743046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.743046 (E_RNA)
where:
Base-Base interactions energy: -412.252
where: short stacking energy: -180.306
Base-Backbone interact. energy: 1.430
local terms energy: -285.920679
where:
bonds (distance) C4'-P energy: -69.639
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -32.229
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: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -433.843238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.843238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.843238 (E_RNA)
where:
Base-Base interactions energy: -203.382
where: short stacking energy: -125.629
Base-Backbone interact. energy: 5.298
local terms energy: -235.759426
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -68.519
flat angles P-C4'-P energy: -25.808
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: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -361.819004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.819004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.819004 (E_RNA)
where:
Base-Base interactions energy: -162.828
where: short stacking energy: -100.105
Base-Backbone interact. energy: -0.585
local terms energy: -198.405941
where:
bonds (distance) C4'-P energy: -61.847
bonds (distance) P-C4' energy: -60.716
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: 11.886
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: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1400.798530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.798530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.798530 (E_RNA)
where:
Base-Base interactions energy: -968.305
where: short stacking energy: -391.699
Base-Backbone interact. energy: 0.184
local terms energy: -432.677764
where:
bonds (distance) C4'-P energy: -83.663
bonds (distance) P-C4' energy: -81.069
flat angles C4'-P-C4' energy: -91.846
flat angles P-C4'-P energy: -48.513
tors. eta vs tors. theta energy: -127.586
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: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1368.245282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.245282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.245282 (E_RNA)
where:
Base-Base interactions energy: -968.009
where: short stacking energy: -393.488
Base-Backbone interact. energy: -3.774
local terms energy: -396.463213
where:
bonds (distance) C4'-P energy: -70.315
bonds (distance) P-C4' energy: -71.894
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -53.310
tors. eta vs tors. theta energy: -121.622
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: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1308.001216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.001216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.001216 (E_RNA)
where:
Base-Base interactions energy: -904.245
where: short stacking energy: -402.319
Base-Backbone interact. energy: -0.193
local terms energy: -403.563457
where:
bonds (distance) C4'-P energy: -73.954
bonds (distance) P-C4' energy: -74.580
flat angles C4'-P-C4' energy: -78.920
flat angles P-C4'-P energy: -60.869
tors. eta vs tors. theta energy: -115.240
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: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1137.835704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.835704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.835704 (E_RNA)
where:
Base-Base interactions energy: -760.921
where: short stacking energy: -318.624
Base-Backbone interact. energy: -1.193
local terms energy: -375.721690
where:
bonds (distance) C4'-P energy: -73.339
bonds (distance) P-C4' energy: -69.914
flat angles C4'-P-C4' energy: -81.072
flat angles P-C4'-P energy: -54.868
tors. eta vs tors. theta energy: -96.529
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1148.040994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.040994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.040994 (E_RNA)
where:
Base-Base interactions energy: -783.597
where: short stacking energy: -335.888
Base-Backbone interact. energy: -1.820
local terms energy: -362.624289
where:
bonds (distance) C4'-P energy: -58.594
bonds (distance) P-C4' energy: -74.498
flat angles C4'-P-C4' energy: -74.802
flat angles P-C4'-P energy: -48.850
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: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -957.161920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.161920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.161920 (E_RNA)
where:
Base-Base interactions energy: -621.177
where: short stacking energy: -264.879
Base-Backbone interact. energy: 1.742
local terms energy: -337.727650
where:
bonds (distance) C4'-P energy: -63.005
bonds (distance) P-C4' energy: -76.079
flat angles C4'-P-C4' energy: -71.937
flat angles P-C4'-P energy: -49.393
tors. eta vs tors. theta energy: -77.314
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -772.420544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.420544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.420544 (E_RNA)
where:
Base-Base interactions energy: -475.976
where: short stacking energy: -206.727
Base-Backbone interact. energy: -1.743
local terms energy: -294.700989
where:
bonds (distance) C4'-P energy: -78.457
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -72.918
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -38.023
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: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -665.869909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.869909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.869909 (E_RNA)
where:
Base-Base interactions energy: -402.228
where: short stacking energy: -196.545
Base-Backbone interact. energy: -1.232
local terms energy: -262.409772
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -67.216
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -33.362
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: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -439.755306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.755306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.755306 (E_RNA)
where:
Base-Base interactions energy: -202.337
where: short stacking energy: -122.854
Base-Backbone interact. energy: -1.004
local terms energy: -236.414680
where:
bonds (distance) C4'-P energy: -58.601
bonds (distance) P-C4' energy: -68.608
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -7.001
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: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -303.256471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.256471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.256471 (E_RNA)
where:
Base-Base interactions energy: -99.722
where: short stacking energy: -83.413
Base-Backbone interact. energy: -1.659
local terms energy: -201.874527
where:
bonds (distance) C4'-P energy: -65.226
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -21.525
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: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1406.397434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.397434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.397434 (E_RNA)
where:
Base-Base interactions energy: -960.828
where: short stacking energy: -398.550
Base-Backbone interact. energy: -1.329
local terms energy: -444.240495
where:
bonds (distance) C4'-P energy: -81.397
bonds (distance) P-C4' energy: -85.091
flat angles C4'-P-C4' energy: -97.210
flat angles P-C4'-P energy: -49.979
tors. eta vs tors. theta energy: -130.564
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: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1331.815936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.815936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.815936 (E_RNA)
where:
Base-Base interactions energy: -916.005
where: short stacking energy: -390.046
Base-Backbone interact. energy: -0.403
local terms energy: -415.408159
where:
bonds (distance) C4'-P energy: -74.594
bonds (distance) P-C4' energy: -75.350
flat angles C4'-P-C4' energy: -85.017
flat angles P-C4'-P energy: -59.344
tors. eta vs tors. theta energy: -121.104
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: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1284.915959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.915959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.915959 (E_RNA)
where:
Base-Base interactions energy: -874.009
where: short stacking energy: -350.406
Base-Backbone interact. energy: 4.694
local terms energy: -415.601038
where:
bonds (distance) C4'-P energy: -81.727
bonds (distance) P-C4' energy: -83.536
flat angles C4'-P-C4' energy: -88.701
flat angles P-C4'-P energy: -55.935
tors. eta vs tors. theta energy: -105.703
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: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1221.881979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.881979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.881979 (E_RNA)
where:
Base-Base interactions energy: -837.042
where: short stacking energy: -348.914
Base-Backbone interact. energy: -0.745
local terms energy: -384.094983
where:
bonds (distance) C4'-P energy: -65.706
bonds (distance) P-C4' energy: -80.833
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -100.305
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: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1113.033596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.033596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.033596 (E_RNA)
where:
Base-Base interactions energy: -734.254
where: short stacking energy: -313.656
Base-Backbone interact. energy: -0.584
local terms energy: -378.194871
where:
bonds (distance) C4'-P energy: -74.150
bonds (distance) P-C4' energy: -70.029
flat angles C4'-P-C4' energy: -85.201
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -91.357
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: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -963.139012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.139012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.139012 (E_RNA)
where:
Base-Base interactions energy: -640.316
where: short stacking energy: -269.424
Base-Backbone interact. energy: -1.495
local terms energy: -321.327765
where:
bonds (distance) C4'-P energy: -71.318
bonds (distance) P-C4' energy: -66.978
flat angles C4'-P-C4' energy: -65.640
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -79.225
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: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -804.701352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.701352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.701352 (E_RNA)
where:
Base-Base interactions energy: -490.325
where: short stacking energy: -228.525
Base-Backbone interact. energy: 1.529
local terms energy: -315.905229
where:
bonds (distance) C4'-P energy: -76.349
bonds (distance) P-C4' energy: -76.496
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -54.162
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: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -619.378009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.378009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.378009 (E_RNA)
where:
Base-Base interactions energy: -371.646
where: short stacking energy: -163.403
Base-Backbone interact. energy: 0.981
local terms energy: -248.712854
where:
bonds (distance) C4'-P energy: -75.966
bonds (distance) P-C4' energy: -72.461
flat angles C4'-P-C4' energy: -60.343
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -11.593
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: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -422.656550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.656550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.656550 (E_RNA)
where:
Base-Base interactions energy: -230.897
where: short stacking energy: -120.854
Base-Backbone interact. energy: 0.426
local terms energy: -192.184673
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -62.625
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -36.870
tors. eta vs tors. theta energy: 3.510
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: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -321.272246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.272246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.272246 (E_RNA)
where:
Base-Base interactions energy: -105.436
where: short stacking energy: -98.757
Base-Backbone interact. energy: 0.088
local terms energy: -215.924048
where:
bonds (distance) C4'-P energy: -79.926
bonds (distance) P-C4' energy: -68.124
flat angles C4'-P-C4' energy: -56.367
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: 13.038
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: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1375.634311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.634311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.634311 (E_RNA)
where:
Base-Base interactions energy: -940.847
where: short stacking energy: -382.772
Base-Backbone interact. energy: -1.831
local terms energy: -432.956617
where:
bonds (distance) C4'-P energy: -75.294
bonds (distance) P-C4' energy: -89.577
flat angles C4'-P-C4' energy: -86.756
flat angles P-C4'-P energy: -58.424
tors. eta vs tors. theta energy: -122.906
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: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1337.922191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.922191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.922191 (E_RNA)
where:
Base-Base interactions energy: -919.879
where: short stacking energy: -368.533
Base-Backbone interact. energy: -1.131
local terms energy: -416.912342
where:
bonds (distance) C4'-P energy: -79.684
bonds (distance) P-C4' energy: -78.646
flat angles C4'-P-C4' energy: -85.867
flat angles P-C4'-P energy: -52.674
tors. eta vs tors. theta energy: -120.041
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: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1270.175777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.175777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.175777 (E_RNA)
where:
Base-Base interactions energy: -867.604
where: short stacking energy: -359.474
Base-Backbone interact. energy: -2.668
local terms energy: -399.903321
where:
bonds (distance) C4'-P energy: -82.257
bonds (distance) P-C4' energy: -79.071
flat angles C4'-P-C4' energy: -82.582
flat angles P-C4'-P energy: -45.270
tors. eta vs tors. theta energy: -110.724
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: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1255.770236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.770236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.770236 (E_RNA)
where:
Base-Base interactions energy: -859.135
where: short stacking energy: -339.634
Base-Backbone interact. energy: 0.835
local terms energy: -397.470334
where:
bonds (distance) C4'-P energy: -75.055
bonds (distance) P-C4' energy: -73.066
flat angles C4'-P-C4' energy: -82.719
flat angles P-C4'-P energy: -59.910
tors. eta vs tors. theta energy: -106.721
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: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1120.831706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.831706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.831706 (E_RNA)
where:
Base-Base interactions energy: -743.499
where: short stacking energy: -336.552
Base-Backbone interact. energy: -0.021
local terms energy: -377.312216
where:
bonds (distance) C4'-P energy: -77.411
bonds (distance) P-C4' energy: -68.972
flat angles C4'-P-C4' energy: -79.648
flat angles P-C4'-P energy: -51.266
tors. eta vs tors. theta energy: -100.014
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: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -920.293995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.293995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.293995 (E_RNA)
where:
Base-Base interactions energy: -600.559
where: short stacking energy: -263.227
Base-Backbone interact. energy: -0.689
local terms energy: -319.046439
where:
bonds (distance) C4'-P energy: -65.016
bonds (distance) P-C4' energy: -63.744
flat angles C4'-P-C4' energy: -72.572
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -68.118
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -783.833404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.833404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.833404 (E_RNA)
where:
Base-Base interactions energy: -489.535
where: short stacking energy: -241.623
Base-Backbone interact. energy: -4.258
local terms energy: -290.041056
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -66.617
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -47.524
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: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -613.547192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.547192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.547192 (E_RNA)
where:
Base-Base interactions energy: -342.961
where: short stacking energy: -156.246
Base-Backbone interact. energy: -2.009
local terms energy: -268.577050
where:
bonds (distance) C4'-P energy: -59.481
bonds (distance) P-C4' energy: -80.609
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -21.495
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: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -380.314447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.314447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.314447 (E_RNA)
where:
Base-Base interactions energy: -171.046
where: short stacking energy: -89.781
Base-Backbone interact. energy: -1.704
local terms energy: -207.565007
where:
bonds (distance) C4'-P energy: -60.660
bonds (distance) P-C4' energy: -71.919
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: 12.240
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -346.496693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.496693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.496693 (E_RNA)
where:
Base-Base interactions energy: -109.267
where: short stacking energy: -80.133
Base-Backbone interact. energy: 5.535
local terms energy: -242.764818
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -79.047
flat angles C4'-P-C4' energy: -74.596
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: 7.406
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: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1396.153360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.153360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.153360 (E_RNA)
where:
Base-Base interactions energy: -944.114
where: short stacking energy: -403.131
Base-Backbone interact. energy: -0.968
local terms energy: -451.070943
where:
bonds (distance) C4'-P energy: -84.236
bonds (distance) P-C4' energy: -78.031
flat angles C4'-P-C4' energy: -95.860
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: -134.285
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: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1362.486376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.486376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.486376 (E_RNA)
where:
Base-Base interactions energy: -953.348
where: short stacking energy: -394.911
Base-Backbone interact. energy: -1.529
local terms energy: -407.609214
where:
bonds (distance) C4'-P energy: -79.975
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -76.822
flat angles P-C4'-P energy: -60.657
tors. eta vs tors. theta energy: -121.821
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: 345
Temperature: 1.000000
Total energy: -1283.638655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.638655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.638655 (E_RNA)
where:
Base-Base interactions energy: -871.755
where: short stacking energy: -357.170
Base-Backbone interact. energy: -3.236
local terms energy: -408.647033
where:
bonds (distance) C4'-P energy: -74.861
bonds (distance) P-C4' energy: -76.151
flat angles C4'-P-C4' energy: -86.323
flat angles P-C4'-P energy: -66.299
tors. eta vs tors. theta energy: -105.013
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: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1242.518939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.518939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.518939 (E_RNA)
where:
Base-Base interactions energy: -842.005
where: short stacking energy: -335.951
Base-Backbone interact. energy: -0.146
local terms energy: -400.368772
where:
bonds (distance) C4'-P energy: -74.916
bonds (distance) P-C4' energy: -77.819
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -62.564
tors. eta vs tors. theta energy: -101.593
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1109.300917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.300917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.300917 (E_RNA)
where:
Base-Base interactions energy: -755.781
where: short stacking energy: -337.967
Base-Backbone interact. energy: -2.005
local terms energy: -351.515694
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -63.222
flat angles C4'-P-C4' energy: -81.286
flat angles P-C4'-P energy: -50.430
tors. eta vs tors. theta energy: -102.640
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: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -969.355966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.355966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.355966 (E_RNA)
where:
Base-Base interactions energy: -627.177
where: short stacking energy: -282.683
Base-Backbone interact. energy: -1.372
local terms energy: -340.807113
where:
bonds (distance) C4'-P energy: -73.113
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -72.867
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -83.975
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: 7, replica: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -783.927527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.927527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.927527 (E_RNA)
where:
Base-Base interactions energy: -477.024
where: short stacking energy: -232.141
Base-Backbone interact. energy: 0.523
local terms energy: -307.426750
where:
bonds (distance) C4'-P energy: -63.872
bonds (distance) P-C4' energy: -77.480
flat angles C4'-P-C4' energy: -68.750
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -55.795
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: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -616.463439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.463439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.463439 (E_RNA)
where:
Base-Base interactions energy: -352.022
where: short stacking energy: -189.257
Base-Backbone interact. energy: 0.674
local terms energy: -265.115786
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -68.798
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -44.052
tors. eta vs tors. theta energy: -39.321
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: 345
Temperature: 1.300000
Total energy: -401.153759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.153759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.153759 (E_RNA)
where:
Base-Base interactions energy: -180.441
where: short stacking energy: -103.463
Base-Backbone interact. energy: 0.460
local terms energy: -221.172487
where:
bonds (distance) C4'-P energy: -58.016
bonds (distance) P-C4' energy: -75.637
flat angles C4'-P-C4' energy: -64.694
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: 7.627
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: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -323.246265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.246265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.246265 (E_RNA)
where:
Base-Base interactions energy: -118.881
where: short stacking energy: -86.048
Base-Backbone interact. energy: -0.000
local terms energy: -204.364904
where:
bonds (distance) C4'-P energy: -53.586
bonds (distance) P-C4' energy: -67.838
flat angles C4'-P-C4' energy: -60.637
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: 9.240
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: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1408.121998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.121998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.121998 (E_RNA)
where:
Base-Base interactions energy: -958.366
where: short stacking energy: -417.972
Base-Backbone interact. energy: -2.918
local terms energy: -446.837720
where:
bonds (distance) C4'-P energy: -78.872
bonds (distance) P-C4' energy: -83.792
flat angles C4'-P-C4' energy: -98.439
flat angles P-C4'-P energy: -59.480
tors. eta vs tors. theta energy: -126.255
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: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1380.083075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.083075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.083075 (E_RNA)
where:
Base-Base interactions energy: -963.200
where: short stacking energy: -388.693
Base-Backbone interact. energy: -4.976
local terms energy: -411.907427
where:
bonds (distance) C4'-P energy: -69.420
bonds (distance) P-C4' energy: -84.997
flat angles C4'-P-C4' energy: -85.727
flat angles P-C4'-P energy: -54.948
tors. eta vs tors. theta energy: -116.816
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: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1322.601362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.601362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.601362 (E_RNA)
where:
Base-Base interactions energy: -900.355
where: short stacking energy: -369.883
Base-Backbone interact. energy: -2.973
local terms energy: -419.272746
where:
bonds (distance) C4'-P energy: -83.536
bonds (distance) P-C4' energy: -77.360
flat angles C4'-P-C4' energy: -84.308
flat angles P-C4'-P energy: -67.012
tors. eta vs tors. theta energy: -107.056
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: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1208.970543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.970543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.970543 (E_RNA)
where:
Base-Base interactions energy: -846.340
where: short stacking energy: -334.461
Base-Backbone interact. energy: -2.962
local terms energy: -359.668494
where:
bonds (distance) C4'-P energy: -56.709
bonds (distance) P-C4' energy: -72.836
flat angles C4'-P-C4' energy: -81.844
flat angles P-C4'-P energy: -58.533
tors. eta vs tors. theta energy: -89.747
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1121.043896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.043896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.043896 (E_RNA)
where:
Base-Base interactions energy: -759.304
where: short stacking energy: -322.571
Base-Backbone interact. energy: -1.076
local terms energy: -360.663213
where:
bonds (distance) C4'-P energy: -72.258
bonds (distance) P-C4' energy: -62.348
flat angles C4'-P-C4' energy: -78.468
flat angles P-C4'-P energy: -54.601
tors. eta vs tors. theta energy: -92.989
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: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -941.085768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.085768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.085768 (E_RNA)
where:
Base-Base interactions energy: -621.631
where: short stacking energy: -269.170
Base-Backbone interact. energy: -0.444
local terms energy: -319.011137
where:
bonds (distance) C4'-P energy: -60.727
bonds (distance) P-C4' energy: -77.534
flat angles C4'-P-C4' energy: -68.909
flat angles P-C4'-P energy: -54.748
tors. eta vs tors. theta energy: -57.093
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: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -775.402422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.402422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.402422 (E_RNA)
where:
Base-Base interactions energy: -485.256
where: short stacking energy: -226.393
Base-Backbone interact. energy: 0.267
local terms energy: -290.413884
where:
bonds (distance) C4'-P energy: -64.853
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -50.242
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: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -674.687402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.687402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.687402 (E_RNA)
where:
Base-Base interactions energy: -427.374
where: short stacking energy: -200.577
Base-Backbone interact. energy: -1.319
local terms energy: -245.994496
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -69.960
flat angles C4'-P-C4' energy: -56.791
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -34.419
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: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -317.264818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.264818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.264818 (E_RNA)
where:
Base-Base interactions energy: -128.394
where: short stacking energy: -83.603
Base-Backbone interact. energy: 2.790
local terms energy: -191.661175
where:
bonds (distance) C4'-P energy: -66.379
bonds (distance) P-C4' energy: -67.564
flat angles C4'-P-C4' energy: -54.327
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: 26.682
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: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -369.233764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.233764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.233764 (E_RNA)
where:
Base-Base interactions energy: -162.224
where: short stacking energy: -108.252
Base-Backbone interact. energy: 2.729
local terms energy: -209.738984
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -79.452
flat angles C4'-P-C4' energy: -56.324
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: 14.973
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: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1406.755767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.755767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.755767 (E_RNA)
where:
Base-Base interactions energy: -951.201
where: short stacking energy: -403.143
Base-Backbone interact. energy: 0.084
local terms energy: -455.638430
where:
bonds (distance) C4'-P energy: -78.927
bonds (distance) P-C4' energy: -85.527
flat angles C4'-P-C4' energy: -98.892
flat angles P-C4'-P energy: -65.164
tors. eta vs tors. theta energy: -127.129
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1291.806474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.806474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.806474 (E_RNA)
where:
Base-Base interactions energy: -894.061
where: short stacking energy: -373.372
Base-Backbone interact. energy: -0.602
local terms energy: -397.143696
where:
bonds (distance) C4'-P energy: -66.751
bonds (distance) P-C4' energy: -79.835
flat angles C4'-P-C4' energy: -82.741
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -105.100
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1338.763995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.763995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.763995 (E_RNA)
where:
Base-Base interactions energy: -938.184
where: short stacking energy: -375.632
Base-Backbone interact. energy: -1.955
local terms energy: -398.624126
where:
bonds (distance) C4'-P energy: -77.202
bonds (distance) P-C4' energy: -66.003
flat angles C4'-P-C4' energy: -94.913
flat angles P-C4'-P energy: -43.016
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: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1210.473958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.473958 (E_RNA)
where:
Base-Base interactions energy: -819.992
where: short stacking energy: -330.156
Base-Backbone interact. energy: 1.706
local terms energy: -392.187667
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -78.412
flat angles C4'-P-C4' energy: -83.462
flat angles P-C4'-P energy: -62.799
tors. eta vs tors. theta energy: -101.749
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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1156.779099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.779099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.779099 (E_RNA)
where:
Base-Base interactions energy: -771.568
where: short stacking energy: -339.504
Base-Backbone interact. energy: -1.256
local terms energy: -383.955814
where:
bonds (distance) C4'-P energy: -73.821
bonds (distance) P-C4' energy: -72.684
flat angles C4'-P-C4' energy: -83.196
flat angles P-C4'-P energy: -62.690
tors. eta vs tors. theta energy: -91.565
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: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -972.420882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.420882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.420882 (E_RNA)
where:
Base-Base interactions energy: -658.301
where: short stacking energy: -306.328
Base-Backbone interact. energy: -3.248
local terms energy: -310.872228
where:
bonds (distance) C4'-P energy: -71.184
bonds (distance) P-C4' energy: -63.244
flat angles C4'-P-C4' energy: -77.774
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -65.745
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: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -849.796828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.796828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.796828 (E_RNA)
where:
Base-Base interactions energy: -519.456
where: short stacking energy: -255.992
Base-Backbone interact. energy: -2.094
local terms energy: -328.246636
where:
bonds (distance) C4'-P energy: -80.115
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -62.381
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -69.091
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: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -656.940897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.940897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.940897 (E_RNA)
where:
Base-Base interactions energy: -376.810
where: short stacking energy: -165.428
Base-Backbone interact. energy: -0.588
local terms energy: -279.542465
where:
bonds (distance) C4'-P energy: -63.760
bonds (distance) P-C4' energy: -63.885
flat angles C4'-P-C4' energy: -66.987
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -37.330
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: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -345.300882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.300882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.300882 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -91.590
Base-Backbone interact. energy: 0.664
local terms energy: -194.137048
where:
bonds (distance) C4'-P energy: -58.318
bonds (distance) P-C4' energy: -64.431
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: 13.614
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: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -398.897990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.897990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.897990 (E_RNA)
where:
Base-Base interactions energy: -161.184
where: short stacking energy: -113.947
Base-Backbone interact. energy: 0.203
local terms energy: -237.916164
where:
bonds (distance) C4'-P energy: -71.239
bonds (distance) P-C4' energy: -63.456
flat angles C4'-P-C4' energy: -47.235
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -12.709
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: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1419.943770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.943770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.943770 (E_RNA)
where:
Base-Base interactions energy: -971.079
where: short stacking energy: -404.363
Base-Backbone interact. energy: -0.553
local terms energy: -448.312245
where:
bonds (distance) C4'-P energy: -85.362
bonds (distance) P-C4' energy: -94.231
flat angles C4'-P-C4' energy: -84.810
flat angles P-C4'-P energy: -61.511
tors. eta vs tors. theta energy: -122.398
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1300.447004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.447004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.447004 (E_RNA)
where:
Base-Base interactions energy: -891.406
where: short stacking energy: -354.529
Base-Backbone interact. energy: -1.599
local terms energy: -407.441457
where:
bonds (distance) C4'-P energy: -77.903
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -87.739
flat angles P-C4'-P energy: -61.543
tors. eta vs tors. theta energy: -106.235
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: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1355.659713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.659713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.659713 (E_RNA)
where:
Base-Base interactions energy: -947.725
where: short stacking energy: -386.817
Base-Backbone interact. energy: -3.265
local terms energy: -404.668932
where:
bonds (distance) C4'-P energy: -72.923
bonds (distance) P-C4' energy: -80.344
flat angles C4'-P-C4' energy: -84.153
flat angles P-C4'-P energy: -51.010
tors. eta vs tors. theta energy: -116.239
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1227.759110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.759110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.759110 (E_RNA)
where:
Base-Base interactions energy: -837.520
where: short stacking energy: -337.847
Base-Backbone interact. energy: 0.038
local terms energy: -390.277976
where:
bonds (distance) C4'-P energy: -73.513
bonds (distance) P-C4' energy: -74.208
flat angles C4'-P-C4' energy: -88.203
flat angles P-C4'-P energy: -54.617
tors. eta vs tors. theta energy: -99.736
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: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1139.864646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.864646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.864646 (E_RNA)
where:
Base-Base interactions energy: -756.257
where: short stacking energy: -308.063
Base-Backbone interact. energy: -4.800
local terms energy: -378.807240
where:
bonds (distance) C4'-P energy: -66.183
bonds (distance) P-C4' energy: -72.809
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -54.530
tors. eta vs tors. theta energy: -100.270
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: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -979.937808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.937808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.937808 (E_RNA)
where:
Base-Base interactions energy: -628.298
where: short stacking energy: -265.227
Base-Backbone interact. energy: -1.903
local terms energy: -349.737028
where:
bonds (distance) C4'-P energy: -78.197
bonds (distance) P-C4' energy: -78.082
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -48.979
tors. eta vs tors. theta energy: -67.574
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: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -797.420765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.420765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.420765 (E_RNA)
where:
Base-Base interactions energy: -492.619
where: short stacking energy: -245.730
Base-Backbone interact. energy: 2.139
local terms energy: -306.940539
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -52.935
flat angles C4'-P-C4' energy: -76.933
flat angles P-C4'-P energy: -53.287
tors. eta vs tors. theta energy: -59.018
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: 348
Temperature: 1.250000
Total energy: -662.410056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.410056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.410056 (E_RNA)
where:
Base-Base interactions energy: -390.496
where: short stacking energy: -198.948
Base-Backbone interact. energy: -1.056
local terms energy: -270.857381
where:
bonds (distance) C4'-P energy: -59.098
bonds (distance) P-C4' energy: -67.512
flat angles C4'-P-C4' energy: -63.126
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -36.085
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: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -410.351984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.351984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.351984 (E_RNA)
where:
Base-Base interactions energy: -201.059
where: short stacking energy: -127.244
Base-Backbone interact. energy: 0.943
local terms energy: -210.235971
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -68.051
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -3.035
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -324.503815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.503815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.503815 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -96.741
Base-Backbone interact. energy: -0.161
local terms energy: -207.225773
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -61.502
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -32.869
tors. eta vs tors. theta energy: 7.877
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: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1396.385737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.385737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.385737 (E_RNA)
where:
Base-Base interactions energy: -943.541
where: short stacking energy: -385.581
Base-Backbone interact. energy: -2.018
local terms energy: -450.827036
where:
bonds (distance) C4'-P energy: -87.125
bonds (distance) P-C4' energy: -81.803
flat angles C4'-P-C4' energy: -93.524
flat angles P-C4'-P energy: -61.883
tors. eta vs tors. theta energy: -126.493
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: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1369.611954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.611954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.611954 (E_RNA)
where:
Base-Base interactions energy: -951.088
where: short stacking energy: -394.554
Base-Backbone interact. energy: -2.344
local terms energy: -416.179754
where:
bonds (distance) C4'-P energy: -75.234
bonds (distance) P-C4' energy: -81.203
flat angles C4'-P-C4' energy: -84.778
flat angles P-C4'-P energy: -56.343
tors. eta vs tors. theta energy: -118.622
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: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1283.629582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.629582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.629582 (E_RNA)
where:
Base-Base interactions energy: -878.401
where: short stacking energy: -372.155
Base-Backbone interact. energy: -3.707
local terms energy: -401.521510
where:
bonds (distance) C4'-P energy: -71.142
bonds (distance) P-C4' energy: -75.344
flat angles C4'-P-C4' energy: -88.491
flat angles P-C4'-P energy: -54.875
tors. eta vs tors. theta energy: -111.669
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: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1254.377570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.377570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.377570 (E_RNA)
where:
Base-Base interactions energy: -864.827
where: short stacking energy: -369.090
Base-Backbone interact. energy: 3.131
local terms energy: -392.681655
where:
bonds (distance) C4'-P energy: -71.141
bonds (distance) P-C4' energy: -82.886
flat angles C4'-P-C4' energy: -79.747
flat angles P-C4'-P energy: -48.513
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: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1120.152458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.152458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.152458 (E_RNA)
where:
Base-Base interactions energy: -760.948
where: short stacking energy: -318.860
Base-Backbone interact. energy: -2.977
local terms energy: -356.227688
where:
bonds (distance) C4'-P energy: -74.620
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -86.757
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -91.653
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: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1003.081016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.081016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.081016 (E_RNA)
where:
Base-Base interactions energy: -693.288
where: short stacking energy: -287.005
Base-Backbone interact. energy: -2.120
local terms energy: -307.673301
where:
bonds (distance) C4'-P energy: -49.001
bonds (distance) P-C4' energy: -72.417
flat angles C4'-P-C4' energy: -74.238
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -61.332
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: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -766.020981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.020981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.020981 (E_RNA)
where:
Base-Base interactions energy: -474.973
where: short stacking energy: -214.749
Base-Backbone interact. energy: 0.489
local terms energy: -291.537298
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -69.543
flat angles C4'-P-C4' energy: -80.313
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -50.035
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -658.038433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.038433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.038433 (E_RNA)
where:
Base-Base interactions energy: -379.820
where: short stacking energy: -193.616
Base-Backbone interact. energy: 2.650
local terms energy: -280.868130
where:
bonds (distance) C4'-P energy: -68.512
bonds (distance) P-C4' energy: -68.175
flat angles C4'-P-C4' energy: -70.134
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -23.867
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: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -420.240297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.240297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.240297 (E_RNA)
where:
Base-Base interactions energy: -197.455
where: short stacking energy: -126.004
Base-Backbone interact. energy: -0.068
local terms energy: -222.717616
where:
bonds (distance) C4'-P energy: -53.798
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -26.746
tors. eta vs tors. theta energy: -7.922
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: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -330.173177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.173177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.173177 (E_RNA)
where:
Base-Base interactions energy: -116.853
where: short stacking energy: -97.537
Base-Backbone interact. energy: -0.839
local terms energy: -212.481749
where:
bonds (distance) C4'-P energy: -72.894
bonds (distance) P-C4' energy: -68.215
flat angles C4'-P-C4' energy: -57.277
flat angles P-C4'-P energy: -23.307
tors. eta vs tors. theta energy: 9.213
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: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1399.069115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.069115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.069115 (E_RNA)
where:
Base-Base interactions energy: -972.793
where: short stacking energy: -408.488
Base-Backbone interact. energy: -2.936
local terms energy: -423.340351
where:
bonds (distance) C4'-P energy: -74.776
bonds (distance) P-C4' energy: -86.398
flat angles C4'-P-C4' energy: -92.728
flat angles P-C4'-P energy: -54.174
tors. eta vs tors. theta energy: -115.265
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: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1366.446339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.446339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.446339 (E_RNA)
where:
Base-Base interactions energy: -942.011
where: short stacking energy: -402.081
Base-Backbone interact. energy: -1.627
local terms energy: -422.808638
where:
bonds (distance) C4'-P energy: -80.159
bonds (distance) P-C4' energy: -67.678
flat angles C4'-P-C4' energy: -86.875
flat angles P-C4'-P energy: -65.363
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1283.600113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.600113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.600113 (E_RNA)
where:
Base-Base interactions energy: -871.429
where: short stacking energy: -363.525
Base-Backbone interact. energy: -1.374
local terms energy: -410.797620
where:
bonds (distance) C4'-P energy: -80.505
bonds (distance) P-C4' energy: -76.749
flat angles C4'-P-C4' energy: -90.302
flat angles P-C4'-P energy: -51.366
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: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1226.170162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.170162 (E_RNA)
where:
Base-Base interactions energy: -848.076
where: short stacking energy: -353.311
Base-Backbone interact. energy: -0.903
local terms energy: -377.191365
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -64.495
flat angles C4'-P-C4' energy: -80.376
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -109.643
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: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1088.059088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.059088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.059088 (E_RNA)
where:
Base-Base interactions energy: -739.938
where: short stacking energy: -315.012
Base-Backbone interact. energy: -1.967
local terms energy: -346.153700
where:
bonds (distance) C4'-P energy: -58.225
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -88.461
flat angles P-C4'-P energy: -51.568
tors. eta vs tors. theta energy: -92.648
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: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1059.254956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.254956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.254956 (E_RNA)
where:
Base-Base interactions energy: -677.098
where: short stacking energy: -299.410
Base-Backbone interact. energy: 0.341
local terms energy: -382.497937
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -75.375
flat angles C4'-P-C4' energy: -83.524
flat angles P-C4'-P energy: -61.484
tors. eta vs tors. theta energy: -92.505
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: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -775.126732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.126732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.126732 (E_RNA)
where:
Base-Base interactions energy: -488.539
where: short stacking energy: -241.074
Base-Backbone interact. energy: 0.126
local terms energy: -286.714068
where:
bonds (distance) C4'-P energy: -57.527
bonds (distance) P-C4' energy: -69.840
flat angles C4'-P-C4' energy: -57.978
flat angles P-C4'-P energy: -47.890
tors. eta vs tors. theta energy: -53.478
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: 350
Temperature: 1.250000
Total energy: -607.883649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.883649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.883649 (E_RNA)
where:
Base-Base interactions energy: -354.731
where: short stacking energy: -188.799
Base-Backbone interact. energy: 0.218
local terms energy: -253.370682
where:
bonds (distance) C4'-P energy: -65.942
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -56.211
flat angles P-C4'-P energy: -37.479
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: 350
Temperature: 1.300000
Total energy: -462.804739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.804739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.804739 (E_RNA)
where:
Base-Base interactions energy: -208.487
where: short stacking energy: -121.228
Base-Backbone interact. energy: 0.338
local terms energy: -254.656077
where:
bonds (distance) C4'-P energy: -80.991
bonds (distance) P-C4' energy: -70.292
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -37.514
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: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -314.202980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.202980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.202980 (E_RNA)
where:
Base-Base interactions energy: -99.172
where: short stacking energy: -94.903
Base-Backbone interact. energy: -1.494
local terms energy: -213.536878
where:
bonds (distance) C4'-P energy: -70.182
bonds (distance) P-C4' energy: -69.880
flat angles C4'-P-C4' energy: -59.245
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: 10.383
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: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1405.783913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.783913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.783913 (E_RNA)
where:
Base-Base interactions energy: -960.502
where: short stacking energy: -409.958
Base-Backbone interact. energy: 0.038
local terms energy: -445.319521
where:
bonds (distance) C4'-P energy: -77.477
bonds (distance) P-C4' energy: -79.809
flat angles C4'-P-C4' energy: -96.561
flat angles P-C4'-P energy: -62.455
tors. eta vs tors. theta energy: -129.017
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: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1325.634870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.634870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.634870 (E_RNA)
where:
Base-Base interactions energy: -912.061
where: short stacking energy: -388.308
Base-Backbone interact. energy: -3.131
local terms energy: -410.442207
where:
bonds (distance) C4'-P energy: -82.351
bonds (distance) P-C4' energy: -78.463
flat angles C4'-P-C4' energy: -87.116
flat angles P-C4'-P energy: -49.233
tors. eta vs tors. theta energy: -113.280
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: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1332.558137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.558137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.558137 (E_RNA)
where:
Base-Base interactions energy: -918.074
where: short stacking energy: -373.476
Base-Backbone interact. energy: -2.381
local terms energy: -412.103283
where:
bonds (distance) C4'-P energy: -74.437
bonds (distance) P-C4' energy: -80.633
flat angles C4'-P-C4' energy: -90.730
flat angles P-C4'-P energy: -54.054
tors. eta vs tors. theta energy: -112.248
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1228.160094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.160094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.160094 (E_RNA)
where:
Base-Base interactions energy: -838.627
where: short stacking energy: -342.774
Base-Backbone interact. energy: 1.694
local terms energy: -391.227885
where:
bonds (distance) C4'-P energy: -67.131
bonds (distance) P-C4' energy: -75.311
flat angles C4'-P-C4' energy: -88.795
flat angles P-C4'-P energy: -58.473
tors. eta vs tors. theta energy: -101.518
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: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1023.667212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.667212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.667212 (E_RNA)
where:
Base-Base interactions energy: -667.382
where: short stacking energy: -291.498
Base-Backbone interact. energy: -3.074
local terms energy: -353.211397
where:
bonds (distance) C4'-P energy: -75.954
bonds (distance) P-C4' energy: -75.640
flat angles C4'-P-C4' energy: -79.857
flat angles P-C4'-P energy: -55.277
tors. eta vs tors. theta energy: -66.484
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: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1065.342033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.342033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.342033 (E_RNA)
where:
Base-Base interactions energy: -693.438
where: short stacking energy: -280.362
Base-Backbone interact. energy: -0.963
local terms energy: -370.940731
where:
bonds (distance) C4'-P energy: -76.739
bonds (distance) P-C4' energy: -80.270
flat angles C4'-P-C4' energy: -74.285
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: -85.772
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: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -820.491365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.491365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.491365 (E_RNA)
where:
Base-Base interactions energy: -481.331
where: short stacking energy: -221.937
Base-Backbone interact. energy: 1.260
local terms energy: -340.420480
where:
bonds (distance) C4'-P energy: -77.934
bonds (distance) P-C4' energy: -66.132
flat angles C4'-P-C4' energy: -87.413
flat angles P-C4'-P energy: -41.818
tors. eta vs tors. theta energy: -67.123
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: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -674.618102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.618102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.618102 (E_RNA)
where:
Base-Base interactions energy: -404.456
where: short stacking energy: -199.359
Base-Backbone interact. energy: 3.786
local terms energy: -273.948719
where:
bonds (distance) C4'-P energy: -62.946
bonds (distance) P-C4' energy: -67.840
flat angles C4'-P-C4' energy: -61.762
flat angles P-C4'-P energy: -48.903
tors. eta vs tors. theta energy: -32.497
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: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -528.773860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.773860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.773860 (E_RNA)
where:
Base-Base interactions energy: -269.740
where: short stacking energy: -165.270
Base-Backbone interact. energy: 2.209
local terms energy: -261.242255
where:
bonds (distance) C4'-P energy: -67.172
bonds (distance) P-C4' energy: -72.874
flat angles C4'-P-C4' energy: -64.986
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -20.686
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: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -316.269819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.269819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.269819 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -77.903
Base-Backbone interact. energy: -2.784
local terms energy: -201.819934
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -48.596
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: 12.981
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: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1422.703519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.703519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.703519 (E_RNA)
where:
Base-Base interactions energy: -973.677
where: short stacking energy: -410.693
Base-Backbone interact. energy: -0.046
local terms energy: -448.979784
where:
bonds (distance) C4'-P energy: -72.760
bonds (distance) P-C4' energy: -83.614
flat angles C4'-P-C4' energy: -93.154
flat angles P-C4'-P energy: -65.554
tors. eta vs tors. theta energy: -133.898
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: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1329.147805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.147805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.147805 (E_RNA)
where:
Base-Base interactions energy: -890.537
where: short stacking energy: -368.888
Base-Backbone interact. energy: -2.384
local terms energy: -436.226842
where:
bonds (distance) C4'-P energy: -95.037
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -83.884
flat angles P-C4'-P energy: -57.668
tors. eta vs tors. theta energy: -117.481
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: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1353.604196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.604196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.604196 (E_RNA)
where:
Base-Base interactions energy: -938.780
where: short stacking energy: -381.897
Base-Backbone interact. energy: 0.003
local terms energy: -414.827511
where:
bonds (distance) C4'-P energy: -71.326
bonds (distance) P-C4' energy: -82.699
flat angles C4'-P-C4' energy: -77.590
flat angles P-C4'-P energy: -66.432
tors. eta vs tors. theta energy: -116.780
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1262.341161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.341161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.341161 (E_RNA)
where:
Base-Base interactions energy: -860.473
where: short stacking energy: -361.519
Base-Backbone interact. energy: -1.548
local terms energy: -400.319989
where:
bonds (distance) C4'-P energy: -58.594
bonds (distance) P-C4' energy: -78.677
flat angles C4'-P-C4' energy: -82.757
flat angles P-C4'-P energy: -64.287
tors. eta vs tors. theta energy: -116.005
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: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1121.589100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.589100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.589100 (E_RNA)
where:
Base-Base interactions energy: -731.464
where: short stacking energy: -318.999
Base-Backbone interact. energy: -0.676
local terms energy: -389.448462
where:
bonds (distance) C4'-P energy: -72.914
bonds (distance) P-C4' energy: -74.329
flat angles C4'-P-C4' energy: -89.545
flat angles P-C4'-P energy: -51.995
tors. eta vs tors. theta energy: -100.665
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: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1044.008390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.008390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.008390 (E_RNA)
where:
Base-Base interactions energy: -707.932
where: short stacking energy: -300.761
Base-Backbone interact. energy: -1.841
local terms energy: -334.235585
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -68.615
flat angles C4'-P-C4' energy: -87.930
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -85.277
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: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -773.022380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.022380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.022380 (E_RNA)
where:
Base-Base interactions energy: -461.851
where: short stacking energy: -211.607
Base-Backbone interact. energy: 0.313
local terms energy: -311.483856
where:
bonds (distance) C4'-P energy: -80.902
bonds (distance) P-C4' energy: -70.746
flat angles C4'-P-C4' energy: -80.208
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -42.474
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: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -674.133974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.133974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.133974 (E_RNA)
where:
Base-Base interactions energy: -385.618
where: short stacking energy: -186.153
Base-Backbone interact. energy: 0.952
local terms energy: -289.468055
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -68.007
flat angles C4'-P-C4' energy: -76.237
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -35.219
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: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -450.900892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.900892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.900892 (E_RNA)
where:
Base-Base interactions energy: -225.161
where: short stacking energy: -128.186
Base-Backbone interact. energy: -1.207
local terms energy: -224.532390
where:
bonds (distance) C4'-P energy: -56.900
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -27.601
tors. eta vs tors. theta energy: 0.267
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: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -306.382369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.382369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.382369 (E_RNA)
where:
Base-Base interactions energy: -102.622
where: short stacking energy: -92.940
Base-Backbone interact. energy: 0.413
local terms energy: -204.173765
where:
bonds (distance) C4'-P energy: -72.787
bonds (distance) P-C4' energy: -68.672
flat angles C4'-P-C4' energy: -67.985
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 13.553
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: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1438.740949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.740949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.740949 (E_RNA)
where:
Base-Base interactions energy: -977.140
where: short stacking energy: -425.964
Base-Backbone interact. energy: 0.647
local terms energy: -462.247553
where:
bonds (distance) C4'-P energy: -84.869
bonds (distance) P-C4' energy: -85.900
flat angles C4'-P-C4' energy: -93.840
flat angles P-C4'-P energy: -66.723
tors. eta vs tors. theta energy: -130.916
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: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1328.967695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.967695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.967695 (E_RNA)
where:
Base-Base interactions energy: -909.178
where: short stacking energy: -369.710
Base-Backbone interact. energy: -3.358
local terms energy: -416.431909
where:
bonds (distance) C4'-P energy: -75.583
bonds (distance) P-C4' energy: -81.019
flat angles C4'-P-C4' energy: -90.443
flat angles P-C4'-P energy: -58.143
tors. eta vs tors. theta energy: -111.244
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: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1300.352839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.352839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.352839 (E_RNA)
where:
Base-Base interactions energy: -899.785
where: short stacking energy: -361.144
Base-Backbone interact. energy: -1.307
local terms energy: -399.260450
where:
bonds (distance) C4'-P energy: -71.157
bonds (distance) P-C4' energy: -69.087
flat angles C4'-P-C4' energy: -90.729
flat angles P-C4'-P energy: -60.724
tors. eta vs tors. theta energy: -107.563
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: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1246.955715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.955715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.955715 (E_RNA)
where:
Base-Base interactions energy: -866.907
where: short stacking energy: -363.186
Base-Backbone interact. energy: -0.941
local terms energy: -379.107803
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -62.993
flat angles C4'-P-C4' energy: -75.520
flat angles P-C4'-P energy: -54.695
tors. eta vs tors. theta energy: -118.081
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: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1118.109090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.109090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.109090 (E_RNA)
where:
Base-Base interactions energy: -752.608
where: short stacking energy: -314.834
Base-Backbone interact. energy: -1.219
local terms energy: -364.281662
where:
bonds (distance) C4'-P energy: -69.965
bonds (distance) P-C4' energy: -73.894
flat angles C4'-P-C4' energy: -83.317
flat angles P-C4'-P energy: -51.764
tors. eta vs tors. theta energy: -85.343
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: 353
Temperature: 1.150000
Total energy: -1030.997136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.997136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.997136 (E_RNA)
where:
Base-Base interactions energy: -677.807
where: short stacking energy: -278.598
Base-Backbone interact. energy: 0.275
local terms energy: -353.464794
where:
bonds (distance) C4'-P energy: -68.093
bonds (distance) P-C4' energy: -80.252
flat angles C4'-P-C4' energy: -71.650
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: -91.657
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: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -766.178872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.178872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.178872 (E_RNA)
where:
Base-Base interactions energy: -468.264
where: short stacking energy: -216.338
Base-Backbone interact. energy: -1.993
local terms energy: -295.921985
where:
bonds (distance) C4'-P energy: -61.948
bonds (distance) P-C4' energy: -62.126
flat angles C4'-P-C4' energy: -75.650
flat angles P-C4'-P energy: -52.711
tors. eta vs tors. theta energy: -43.488
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -689.143194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.143194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.143194 (E_RNA)
where:
Base-Base interactions energy: -413.741
where: short stacking energy: -203.819
Base-Backbone interact. energy: 0.531
local terms energy: -275.932602
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -58.946
flat angles C4'-P-C4' energy: -69.694
flat angles P-C4'-P energy: -44.085
tors. eta vs tors. theta energy: -42.845
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: 353
Temperature: 1.300000
Total energy: -420.211393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.211393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.211393 (E_RNA)
where:
Base-Base interactions energy: -184.494
where: short stacking energy: -106.401
Base-Backbone interact. energy: -0.973
local terms energy: -234.744453
where:
bonds (distance) C4'-P energy: -67.084
bonds (distance) P-C4' energy: -71.767
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -6.786
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: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -319.724199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.724199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.724199 (E_RNA)
where:
Base-Base interactions energy: -108.708
where: short stacking energy: -86.172
Base-Backbone interact. energy: 1.751
local terms energy: -212.766543
where:
bonds (distance) C4'-P energy: -72.907
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: 11.734
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: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1439.693114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.693114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.693114 (E_RNA)
where:
Base-Base interactions energy: -991.575
where: short stacking energy: -417.550
Base-Backbone interact. energy: -0.499
local terms energy: -447.619162
where:
bonds (distance) C4'-P energy: -84.631
bonds (distance) P-C4' energy: -80.348
flat angles C4'-P-C4' energy: -89.215
flat angles P-C4'-P energy: -65.729
tors. eta vs tors. theta energy: -127.696
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: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1346.172004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.172004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.172004 (E_RNA)
where:
Base-Base interactions energy: -941.101
where: short stacking energy: -375.651
Base-Backbone interact. energy: -1.542
local terms energy: -403.529425
where:
bonds (distance) C4'-P energy: -79.808
bonds (distance) P-C4' energy: -83.659
flat angles C4'-P-C4' energy: -87.537
flat angles P-C4'-P energy: -40.864
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: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1283.674277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.674277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.674277 (E_RNA)
where:
Base-Base interactions energy: -874.344
where: short stacking energy: -387.478
Base-Backbone interact. energy: 3.577
local terms energy: -412.907143
where:
bonds (distance) C4'-P energy: -65.939
bonds (distance) P-C4' energy: -90.548
flat angles C4'-P-C4' energy: -91.820
flat angles P-C4'-P energy: -55.466
tors. eta vs tors. theta energy: -109.133
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: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1232.652454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.652454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.652454 (E_RNA)
where:
Base-Base interactions energy: -851.261
where: short stacking energy: -337.294
Base-Backbone interact. energy: -1.289
local terms energy: -380.103160
where:
bonds (distance) C4'-P energy: -63.040
bonds (distance) P-C4' energy: -81.144
flat angles C4'-P-C4' energy: -88.943
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -98.941
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: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1090.155271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.155271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.155271 (E_RNA)
where:
Base-Base interactions energy: -743.684
where: short stacking energy: -304.183
Base-Backbone interact. energy: 0.094
local terms energy: -346.565253
where:
bonds (distance) C4'-P energy: -67.720
bonds (distance) P-C4' energy: -67.804
flat angles C4'-P-C4' energy: -75.379
flat angles P-C4'-P energy: -51.102
tors. eta vs tors. theta energy: -84.559
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -988.651854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.651854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.651854 (E_RNA)
where:
Base-Base interactions energy: -668.045
where: short stacking energy: -291.436
Base-Backbone interact. energy: -1.594
local terms energy: -319.011978
where:
bonds (distance) C4'-P energy: -63.439
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -63.404
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -89.673
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: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -840.334011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.334011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.334011 (E_RNA)
where:
Base-Base interactions energy: -543.640
where: short stacking energy: -235.716
Base-Backbone interact. energy: -0.486
local terms energy: -296.207830
where:
bonds (distance) C4'-P energy: -66.894
bonds (distance) P-C4' energy: -69.491
flat angles C4'-P-C4' energy: -66.762
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -49.013
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: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -657.251037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.251037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.251037 (E_RNA)
where:
Base-Base interactions energy: -390.665
where: short stacking energy: -176.378
Base-Backbone interact. energy: -0.516
local terms energy: -266.070580
where:
bonds (distance) C4'-P energy: -71.442
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -37.335
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: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -473.347035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.347035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.347035 (E_RNA)
where:
Base-Base interactions energy: -229.148
where: short stacking energy: -148.093
Base-Backbone interact. energy: 0.610
local terms energy: -244.808811
where:
bonds (distance) C4'-P energy: -66.940
bonds (distance) P-C4' energy: -67.121
flat angles C4'-P-C4' energy: -65.399
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -14.946
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -326.106446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.106446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.106446 (E_RNA)
where:
Base-Base interactions energy: -99.701
where: short stacking energy: -90.640
Base-Backbone interact. energy: -2.112
local terms energy: -224.292784
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -75.815
flat angles C4'-P-C4' energy: -55.318
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: 5.433
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1428.100680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.100680 (E_RNA)
where:
Base-Base interactions energy: -980.374
where: short stacking energy: -412.314
Base-Backbone interact. energy: -0.948
local terms energy: -446.778738
where:
bonds (distance) C4'-P energy: -90.286
bonds (distance) P-C4' energy: -71.583
flat angles C4'-P-C4' energy: -91.770
flat angles P-C4'-P energy: -64.484
tors. eta vs tors. theta energy: -128.656
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: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1304.161900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.161900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.161900 (E_RNA)
where:
Base-Base interactions energy: -903.015
where: short stacking energy: -369.282
Base-Backbone interact. energy: -0.485
local terms energy: -400.661536
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -81.817
flat angles C4'-P-C4' energy: -85.557
flat angles P-C4'-P energy: -43.629
tors. eta vs tors. theta energy: -112.195
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: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1308.861842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.861842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.861842 (E_RNA)
where:
Base-Base interactions energy: -909.971
where: short stacking energy: -365.011
Base-Backbone interact. energy: -1.082
local terms energy: -397.808723
where:
bonds (distance) C4'-P energy: -75.473
bonds (distance) P-C4' energy: -70.444
flat angles C4'-P-C4' energy: -82.095
flat angles P-C4'-P energy: -53.804
tors. eta vs tors. theta energy: -115.994
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: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1252.181027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.181027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.181027 (E_RNA)
where:
Base-Base interactions energy: -877.687
where: short stacking energy: -357.164
Base-Backbone interact. energy: 0.595
local terms energy: -375.089760
where:
bonds (distance) C4'-P energy: -66.573
bonds (distance) P-C4' energy: -70.276
flat angles C4'-P-C4' energy: -80.413
flat angles P-C4'-P energy: -51.325
tors. eta vs tors. theta energy: -106.504
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: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1099.370268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.370268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.370268 (E_RNA)
where:
Base-Base interactions energy: -743.586
where: short stacking energy: -306.507
Base-Backbone interact. energy: -1.330
local terms energy: -354.454245
where:
bonds (distance) C4'-P energy: -80.746
bonds (distance) P-C4' energy: -70.047
flat angles C4'-P-C4' energy: -83.660
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -78.455
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: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1015.571402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.571402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.571402 (E_RNA)
where:
Base-Base interactions energy: -669.560
where: short stacking energy: -308.129
Base-Backbone interact. energy: -1.974
local terms energy: -344.037950
where:
bonds (distance) C4'-P energy: -62.665
bonds (distance) P-C4' energy: -65.187
flat angles C4'-P-C4' energy: -82.155
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -91.746
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: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -844.558366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.558366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.558366 (E_RNA)
where:
Base-Base interactions energy: -542.185
where: short stacking energy: -232.853
Base-Backbone interact. energy: -0.716
local terms energy: -301.656857
where:
bonds (distance) C4'-P energy: -78.299
bonds (distance) P-C4' energy: -63.734
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -62.278
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: 355
Temperature: 1.250000
Total energy: -661.580587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.580587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.580587 (E_RNA)
where:
Base-Base interactions energy: -382.252
where: short stacking energy: -194.774
Base-Backbone interact. energy: -2.630
local terms energy: -276.698435
where:
bonds (distance) C4'-P energy: -72.212
bonds (distance) P-C4' energy: -70.163
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -31.018
tors. eta vs tors. theta energy: -37.322
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: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -482.695642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.695642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.695642 (E_RNA)
where:
Base-Base interactions energy: -259.663
where: short stacking energy: -135.403
Base-Backbone interact. energy: -3.993
local terms energy: -219.039785
where:
bonds (distance) C4'-P energy: -64.936
bonds (distance) P-C4' energy: -57.550
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -11.300
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: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -341.543027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.543027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.543027 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -110.066
Base-Backbone interact. energy: 0.277
local terms energy: -211.165960
where:
bonds (distance) C4'-P energy: -51.730
bonds (distance) P-C4' energy: -52.193
flat angles C4'-P-C4' energy: -61.232
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -0.261
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: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1420.854665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.854665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.854665 (E_RNA)
where:
Base-Base interactions energy: -986.233
where: short stacking energy: -423.671
Base-Backbone interact. energy: -0.771
local terms energy: -433.850808
where:
bonds (distance) C4'-P energy: -61.836
bonds (distance) P-C4' energy: -76.875
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -73.166
tors. eta vs tors. theta energy: -130.097
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: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1329.966358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.966358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.966358 (E_RNA)
where:
Base-Base interactions energy: -896.778
where: short stacking energy: -373.360
Base-Backbone interact. energy: -0.247
local terms energy: -432.941598
where:
bonds (distance) C4'-P energy: -86.897
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -95.242
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -111.799
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: 356
Temperature: 1.000000
Total energy: -1293.024000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.024000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.024000 (E_RNA)
where:
Base-Base interactions energy: -894.779
where: short stacking energy: -371.309
Base-Backbone interact. energy: -1.793
local terms energy: -396.452304
where:
bonds (distance) C4'-P energy: -67.545
bonds (distance) P-C4' energy: -71.742
flat angles C4'-P-C4' energy: -80.834
flat angles P-C4'-P energy: -59.926
tors. eta vs tors. theta energy: -116.405
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: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1263.031315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.031315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.031315 (E_RNA)
where:
Base-Base interactions energy: -849.020
where: short stacking energy: -354.970
Base-Backbone interact. energy: -2.483
local terms energy: -411.528503
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -81.964
flat angles C4'-P-C4' energy: -83.007
flat angles P-C4'-P energy: -63.155
tors. eta vs tors. theta energy: -106.619
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1135.722717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.722717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.722717 (E_RNA)
where:
Base-Base interactions energy: -726.645
where: short stacking energy: -333.376
Base-Backbone interact. energy: -1.876
local terms energy: -407.200946
where:
bonds (distance) C4'-P energy: -75.614
bonds (distance) P-C4' energy: -74.903
flat angles C4'-P-C4' energy: -89.197
flat angles P-C4'-P energy: -60.161
tors. eta vs tors. theta energy: -107.326
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: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1030.762262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.762262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.762262 (E_RNA)
where:
Base-Base interactions energy: -714.165
where: short stacking energy: -292.294
Base-Backbone interact. energy: -1.633
local terms energy: -314.964270
where:
bonds (distance) C4'-P energy: -59.937
bonds (distance) P-C4' energy: -65.384
flat angles C4'-P-C4' energy: -66.322
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -83.125
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: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -832.678771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.678771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.678771 (E_RNA)
where:
Base-Base interactions energy: -514.082
where: short stacking energy: -223.623
Base-Backbone interact. energy: -1.083
local terms energy: -317.513269
where:
bonds (distance) C4'-P energy: -74.792
bonds (distance) P-C4' energy: -68.786
flat angles C4'-P-C4' energy: -73.248
flat angles P-C4'-P energy: -40.880
tors. eta vs tors. theta energy: -59.808
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: 356
Temperature: 1.250000
Total energy: -724.403971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.403971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.403971 (E_RNA)
where:
Base-Base interactions energy: -439.302
where: short stacking energy: -200.679
Base-Backbone interact. energy: -0.427
local terms energy: -284.675160
where:
bonds (distance) C4'-P energy: -71.385
bonds (distance) P-C4' energy: -80.759
flat angles C4'-P-C4' energy: -75.229
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -35.232
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: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -428.034920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.034920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.034920 (E_RNA)
where:
Base-Base interactions energy: -202.532
where: short stacking energy: -129.663
Base-Backbone interact. energy: 1.874
local terms energy: -227.376866
where:
bonds (distance) C4'-P energy: -46.704
bonds (distance) P-C4' energy: -75.641
flat angles C4'-P-C4' energy: -65.697
flat angles P-C4'-P energy: -32.692
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: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -321.800756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.800756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.800756 (E_RNA)
where:
Base-Base interactions energy: -130.109
where: short stacking energy: -75.207
Base-Backbone interact. energy: -1.308
local terms energy: -190.384084
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -72.946
flat angles C4'-P-C4' energy: -44.665
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: 15.570
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: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1416.992956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.992956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.992956 (E_RNA)
where:
Base-Base interactions energy: -988.931
where: short stacking energy: -405.630
Base-Backbone interact. energy: -2.336
local terms energy: -425.726027
where:
bonds (distance) C4'-P energy: -77.961
bonds (distance) P-C4' energy: -77.779
flat angles C4'-P-C4' energy: -90.542
flat angles P-C4'-P energy: -57.364
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: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1360.165879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.165879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.165879 (E_RNA)
where:
Base-Base interactions energy: -946.041
where: short stacking energy: -372.396
Base-Backbone interact. energy: -5.365
local terms energy: -408.760030
where:
bonds (distance) C4'-P energy: -68.244
bonds (distance) P-C4' energy: -84.062
flat angles C4'-P-C4' energy: -84.443
flat angles P-C4'-P energy: -61.366
tors. eta vs tors. theta energy: -110.644
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: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1301.039692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.039692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.039692 (E_RNA)
where:
Base-Base interactions energy: -894.371
where: short stacking energy: -358.693
Base-Backbone interact. energy: -5.600
local terms energy: -401.068792
where:
bonds (distance) C4'-P energy: -76.733
bonds (distance) P-C4' energy: -73.760
flat angles C4'-P-C4' energy: -87.886
flat angles P-C4'-P energy: -57.987
tors. eta vs tors. theta energy: -104.703
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1247.572536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.572536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.572536 (E_RNA)
where:
Base-Base interactions energy: -842.412
where: short stacking energy: -355.468
Base-Backbone interact. energy: -0.467
local terms energy: -404.693748
where:
bonds (distance) C4'-P energy: -70.370
bonds (distance) P-C4' energy: -85.526
flat angles C4'-P-C4' energy: -85.088
flat angles P-C4'-P energy: -57.794
tors. eta vs tors. theta energy: -105.915
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: 357
Temperature: 1.100000
Total energy: -1141.359290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.359290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.359290 (E_RNA)
where:
Base-Base interactions energy: -757.791
where: short stacking energy: -330.740
Base-Backbone interact. energy: -0.513
local terms energy: -383.055881
where:
bonds (distance) C4'-P energy: -76.753
bonds (distance) P-C4' energy: -65.657
flat angles C4'-P-C4' energy: -76.536
flat angles P-C4'-P energy: -58.637
tors. eta vs tors. theta energy: -105.473
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: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1039.511420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.511420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.511420 (E_RNA)
where:
Base-Base interactions energy: -712.599
where: short stacking energy: -301.006
Base-Backbone interact. energy: 1.237
local terms energy: -328.149356
where:
bonds (distance) C4'-P energy: -72.601
bonds (distance) P-C4' energy: -75.209
flat angles C4'-P-C4' energy: -68.075
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -74.431
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: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -819.866967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.866967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.866967 (E_RNA)
where:
Base-Base interactions energy: -516.667
where: short stacking energy: -236.003
Base-Backbone interact. energy: 1.480
local terms energy: -304.679760
where:
bonds (distance) C4'-P energy: -70.491
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -51.754
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: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -715.702155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.702155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.702155 (E_RNA)
where:
Base-Base interactions energy: -438.076
where: short stacking energy: -227.084
Base-Backbone interact. energy: 1.152
local terms energy: -278.778407
where:
bonds (distance) C4'-P energy: -69.771
bonds (distance) P-C4' energy: -59.387
flat angles C4'-P-C4' energy: -66.388
flat angles P-C4'-P energy: -34.921
tors. eta vs tors. theta energy: -48.311
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: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -432.639523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.639523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.639523 (E_RNA)
where:
Base-Base interactions energy: -209.243
where: short stacking energy: -107.005
Base-Backbone interact. energy: -1.245
local terms energy: -222.151124
where:
bonds (distance) C4'-P energy: -68.289
bonds (distance) P-C4' energy: -57.970
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -0.920
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: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -302.793934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.793934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.793934 (E_RNA)
where:
Base-Base interactions energy: -124.551
where: short stacking energy: -89.756
Base-Backbone interact. energy: 2.733
local terms energy: -180.975692
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: 24.626
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: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1402.702037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.702037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.702037 (E_RNA)
where:
Base-Base interactions energy: -946.726
where: short stacking energy: -375.333
Base-Backbone interact. energy: -1.878
local terms energy: -454.098211
where:
bonds (distance) C4'-P energy: -87.995
bonds (distance) P-C4' energy: -91.716
flat angles C4'-P-C4' energy: -98.110
flat angles P-C4'-P energy: -53.897
tors. eta vs tors. theta energy: -122.380
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: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1346.190678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.190678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.190678 (E_RNA)
where:
Base-Base interactions energy: -921.286
where: short stacking energy: -373.360
Base-Backbone interact. energy: -1.787
local terms energy: -423.117166
where:
bonds (distance) C4'-P energy: -78.116
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -92.529
flat angles P-C4'-P energy: -61.619
tors. eta vs tors. theta energy: -122.859
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: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1289.166830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.166830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.166830 (E_RNA)
where:
Base-Base interactions energy: -883.154
where: short stacking energy: -374.511
Base-Backbone interact. energy: -0.865
local terms energy: -405.148208
where:
bonds (distance) C4'-P energy: -75.073
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -92.639
flat angles P-C4'-P energy: -53.538
tors. eta vs tors. theta energy: -116.054
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: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1263.544680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.544680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.544680 (E_RNA)
where:
Base-Base interactions energy: -869.642
where: short stacking energy: -352.811
Base-Backbone interact. energy: -1.931
local terms energy: -391.971068
where:
bonds (distance) C4'-P energy: -62.763
bonds (distance) P-C4' energy: -73.711
flat angles C4'-P-C4' energy: -92.237
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -112.568
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: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1129.269487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.269487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.269487 (E_RNA)
where:
Base-Base interactions energy: -757.762
where: short stacking energy: -308.531
Base-Backbone interact. energy: 0.590
local terms energy: -372.097752
where:
bonds (distance) C4'-P energy: -76.371
bonds (distance) P-C4' energy: -65.204
flat angles C4'-P-C4' energy: -81.262
flat angles P-C4'-P energy: -43.507
tors. eta vs tors. theta energy: -105.753
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: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1051.736378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.736378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.736378 (E_RNA)
where:
Base-Base interactions energy: -695.661
where: short stacking energy: -285.166
Base-Backbone interact. energy: 0.167
local terms energy: -356.242851
where:
bonds (distance) C4'-P energy: -64.715
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -75.885
flat angles P-C4'-P energy: -56.431
tors. eta vs tors. theta energy: -84.072
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: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -769.732520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.732520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.732520 (E_RNA)
where:
Base-Base interactions energy: -476.209
where: short stacking energy: -207.446
Base-Backbone interact. energy: -1.010
local terms energy: -292.513820
where:
bonds (distance) C4'-P energy: -64.735
bonds (distance) P-C4' energy: -72.473
flat angles C4'-P-C4' energy: -68.134
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -47.168
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -748.834500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.834500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.834500 (E_RNA)
where:
Base-Base interactions energy: -448.629
where: short stacking energy: -210.981
Base-Backbone interact. energy: -0.751
local terms energy: -299.454578
where:
bonds (distance) C4'-P energy: -65.462
bonds (distance) P-C4' energy: -80.619
flat angles C4'-P-C4' energy: -73.585
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: -35.082
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: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -405.814884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.814884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.814884 (E_RNA)
where:
Base-Base interactions energy: -177.013
where: short stacking energy: -116.457
Base-Backbone interact. energy: 1.029
local terms energy: -229.830931
where:
bonds (distance) C4'-P energy: -62.516
bonds (distance) P-C4' energy: -67.982
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -34.571
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: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -305.716994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.716994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.716994 (E_RNA)
where:
Base-Base interactions energy: -135.453
where: short stacking energy: -98.089
Base-Backbone interact. energy: -2.529
local terms energy: -167.734348
where:
bonds (distance) C4'-P energy: -59.392
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -56.308
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: 20.677
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: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1421.925764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.925764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.925764 (E_RNA)
where:
Base-Base interactions energy: -970.001
where: short stacking energy: -398.437
Base-Backbone interact. energy: -1.588
local terms energy: -450.336418
where:
bonds (distance) C4'-P energy: -73.656
bonds (distance) P-C4' energy: -87.418
flat angles C4'-P-C4' energy: -93.297
flat angles P-C4'-P energy: -65.123
tors. eta vs tors. theta energy: -130.843
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: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1357.027208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.027208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.027208 (E_RNA)
where:
Base-Base interactions energy: -940.379
where: short stacking energy: -384.331
Base-Backbone interact. energy: 1.128
local terms energy: -417.776561
where:
bonds (distance) C4'-P energy: -67.727
bonds (distance) P-C4' energy: -78.701
flat angles C4'-P-C4' energy: -94.279
flat angles P-C4'-P energy: -59.411
tors. eta vs tors. theta energy: -117.657
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: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1274.056462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.056462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.056462 (E_RNA)
where:
Base-Base interactions energy: -884.098
where: short stacking energy: -358.938
Base-Backbone interact. energy: -0.904
local terms energy: -389.054774
where:
bonds (distance) C4'-P energy: -62.043
bonds (distance) P-C4' energy: -78.024
flat angles C4'-P-C4' energy: -90.369
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: -109.220
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: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1258.124403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.124403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.124403 (E_RNA)
where:
Base-Base interactions energy: -881.492
where: short stacking energy: -365.613
Base-Backbone interact. energy: -2.680
local terms energy: -373.952035
where:
bonds (distance) C4'-P energy: -63.632
bonds (distance) P-C4' energy: -79.179
flat angles C4'-P-C4' energy: -77.150
flat angles P-C4'-P energy: -52.586
tors. eta vs tors. theta energy: -101.405
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: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1149.549121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.549121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.549121 (E_RNA)
where:
Base-Base interactions energy: -762.504
where: short stacking energy: -319.006
Base-Backbone interact. energy: -1.352
local terms energy: -385.693317
where:
bonds (distance) C4'-P energy: -68.766
bonds (distance) P-C4' energy: -75.837
flat angles C4'-P-C4' energy: -79.998
flat angles P-C4'-P energy: -63.743
tors. eta vs tors. theta energy: -97.349
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: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1029.117603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.117603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.117603 (E_RNA)
where:
Base-Base interactions energy: -705.958
where: short stacking energy: -298.271
Base-Backbone interact. energy: 3.030
local terms energy: -326.189330
where:
bonds (distance) C4'-P energy: -62.031
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -67.779
flat angles P-C4'-P energy: -54.677
tors. eta vs tors. theta energy: -84.922
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: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -817.837682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.837682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.837682 (E_RNA)
where:
Base-Base interactions energy: -508.238
where: short stacking energy: -244.670
Base-Backbone interact. energy: 0.586
local terms energy: -310.185662
where:
bonds (distance) C4'-P energy: -63.244
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -71.132
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -71.931
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: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -758.334139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.334139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.334139 (E_RNA)
where:
Base-Base interactions energy: -478.334
where: short stacking energy: -213.864
Base-Backbone interact. energy: -0.655
local terms energy: -279.344682
where:
bonds (distance) C4'-P energy: -64.008
bonds (distance) P-C4' energy: -63.412
flat angles C4'-P-C4' energy: -66.923
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -42.574
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: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -391.186340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.186340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.186340 (E_RNA)
where:
Base-Base interactions energy: -164.431
where: short stacking energy: -120.300
Base-Backbone interact. energy: 0.515
local terms energy: -227.270409
where:
bonds (distance) C4'-P energy: -64.106
bonds (distance) P-C4' energy: -75.356
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: 5.769
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: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -325.068747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.068747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.068747 (E_RNA)
where:
Base-Base interactions energy: -108.079
where: short stacking energy: -87.901
Base-Backbone interact. energy: 0.664
local terms energy: -217.653773
where:
bonds (distance) C4'-P energy: -71.326
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: 11.366
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: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1376.598837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.598837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.598837 (E_RNA)
where:
Base-Base interactions energy: -946.187
where: short stacking energy: -392.216
Base-Backbone interact. energy: 0.948
local terms energy: -431.359851
where:
bonds (distance) C4'-P energy: -73.599
bonds (distance) P-C4' energy: -89.066
flat angles C4'-P-C4' energy: -78.902
flat angles P-C4'-P energy: -65.821
tors. eta vs tors. theta energy: -123.972
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: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1370.819301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.819301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.819301 (E_RNA)
where:
Base-Base interactions energy: -947.247
where: short stacking energy: -375.340
Base-Backbone interact. energy: -3.461
local terms energy: -420.110634
where:
bonds (distance) C4'-P energy: -79.999
bonds (distance) P-C4' energy: -86.775
flat angles C4'-P-C4' energy: -86.827
flat angles P-C4'-P energy: -53.253
tors. eta vs tors. theta energy: -113.256
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: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1270.268651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.268651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.268651 (E_RNA)
where:
Base-Base interactions energy: -870.159
where: short stacking energy: -359.937
Base-Backbone interact. energy: -0.078
local terms energy: -400.031814
where:
bonds (distance) C4'-P energy: -65.709
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -93.345
flat angles P-C4'-P energy: -56.126
tors. eta vs tors. theta energy: -106.349
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: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1275.724059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.724059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.724059 (E_RNA)
where:
Base-Base interactions energy: -872.654
where: short stacking energy: -369.412
Base-Backbone interact. energy: -0.968
local terms energy: -402.102528
where:
bonds (distance) C4'-P energy: -72.808
bonds (distance) P-C4' energy: -64.702
flat angles C4'-P-C4' energy: -95.596
flat angles P-C4'-P energy: -56.331
tors. eta vs tors. theta energy: -112.665
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1137.322224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.322224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.322224 (E_RNA)
where:
Base-Base interactions energy: -769.479
where: short stacking energy: -318.217
Base-Backbone interact. energy: -1.449
local terms energy: -366.394075
where:
bonds (distance) C4'-P energy: -74.836
bonds (distance) P-C4' energy: -72.709
flat angles C4'-P-C4' energy: -78.324
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -100.988
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: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1076.404442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.404442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.404442 (E_RNA)
where:
Base-Base interactions energy: -712.685
where: short stacking energy: -313.769
Base-Backbone interact. energy: 1.531
local terms energy: -365.250369
where:
bonds (distance) C4'-P energy: -68.737
bonds (distance) P-C4' energy: -76.106
flat angles C4'-P-C4' energy: -65.593
flat angles P-C4'-P energy: -56.241
tors. eta vs tors. theta energy: -98.574
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -838.566375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.566375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.566375 (E_RNA)
where:
Base-Base interactions energy: -529.145
where: short stacking energy: -240.205
Base-Backbone interact. energy: 0.117
local terms energy: -309.538523
where:
bonds (distance) C4'-P energy: -52.361
bonds (distance) P-C4' energy: -80.451
flat angles C4'-P-C4' energy: -72.578
flat angles P-C4'-P energy: -46.944
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -737.353346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.353346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.353346 (E_RNA)
where:
Base-Base interactions energy: -442.601
where: short stacking energy: -207.350
Base-Backbone interact. energy: 1.648
local terms energy: -296.400870
where:
bonds (distance) C4'-P energy: -66.524
bonds (distance) P-C4' energy: -59.364
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -47.348
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: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -327.746136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.746136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.746136 (E_RNA)
where:
Base-Base interactions energy: -123.613
where: short stacking energy: -95.733
Base-Backbone interact. energy: -2.275
local terms energy: -201.858854
where:
bonds (distance) C4'-P energy: -68.545
bonds (distance) P-C4' energy: -75.561
flat angles C4'-P-C4' energy: -45.391
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: 20.168
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: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -368.160964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.160964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.160964 (E_RNA)
where:
Base-Base interactions energy: -153.482
where: short stacking energy: -94.351
Base-Backbone interact. energy: -0.952
local terms energy: -213.727723
where:
bonds (distance) C4'-P energy: -74.902
bonds (distance) P-C4' energy: -66.325
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: 12.424
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: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1408.399007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.399007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.399007 (E_RNA)
where:
Base-Base interactions energy: -955.202
where: short stacking energy: -397.734
Base-Backbone interact. energy: -1.787
local terms energy: -451.410872
where:
bonds (distance) C4'-P energy: -79.011
bonds (distance) P-C4' energy: -79.839
flat angles C4'-P-C4' energy: -89.945
flat angles P-C4'-P energy: -70.733
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: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1352.334592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.334592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.334592 (E_RNA)
where:
Base-Base interactions energy: -926.783
where: short stacking energy: -387.756
Base-Backbone interact. energy: -1.052
local terms energy: -424.498981
where:
bonds (distance) C4'-P energy: -80.453
bonds (distance) P-C4' energy: -78.784
flat angles C4'-P-C4' energy: -90.848
flat angles P-C4'-P energy: -61.650
tors. eta vs tors. theta energy: -112.765
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: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1305.433472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.433472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.433472 (E_RNA)
where:
Base-Base interactions energy: -899.388
where: short stacking energy: -382.490
Base-Backbone interact. energy: -3.172
local terms energy: -402.873327
where:
bonds (distance) C4'-P energy: -70.347
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -89.901
flat angles P-C4'-P energy: -58.374
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: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1205.813544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.813544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.813544 (E_RNA)
where:
Base-Base interactions energy: -832.168
where: short stacking energy: -332.208
Base-Backbone interact. energy: -2.232
local terms energy: -371.413833
where:
bonds (distance) C4'-P energy: -68.367
bonds (distance) P-C4' energy: -71.174
flat angles C4'-P-C4' energy: -84.284
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -98.578
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: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1156.730187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.730187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.730187 (E_RNA)
where:
Base-Base interactions energy: -759.356
where: short stacking energy: -323.066
Base-Backbone interact. energy: -1.387
local terms energy: -395.987303
where:
bonds (distance) C4'-P energy: -80.576
bonds (distance) P-C4' energy: -73.606
flat angles C4'-P-C4' energy: -87.917
flat angles P-C4'-P energy: -56.801
tors. eta vs tors. theta energy: -97.088
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: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1025.560196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.560196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.560196 (E_RNA)
where:
Base-Base interactions energy: -714.060
where: short stacking energy: -291.629
Base-Backbone interact. energy: -0.324
local terms energy: -311.175987
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -66.425
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -48.735
tors. eta vs tors. theta energy: -76.358
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: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -833.719353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.719353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.719353 (E_RNA)
where:
Base-Base interactions energy: -511.549
where: short stacking energy: -234.131
Base-Backbone interact. energy: -2.067
local terms energy: -320.103428
where:
bonds (distance) C4'-P energy: -75.058
bonds (distance) P-C4' energy: -74.975
flat angles C4'-P-C4' energy: -71.938
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -49.984
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: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -732.726020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.726020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.726020 (E_RNA)
where:
Base-Base interactions energy: -448.055
where: short stacking energy: -222.089
Base-Backbone interact. energy: -0.171
local terms energy: -284.499458
where:
bonds (distance) C4'-P energy: -64.305
bonds (distance) P-C4' energy: -67.548
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -44.832
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: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -344.826969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.826969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.826969 (E_RNA)
where:
Base-Base interactions energy: -112.114
where: short stacking energy: -89.136
Base-Backbone interact. energy: -2.198
local terms energy: -230.514627
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -81.804
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: 12.918
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: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -382.326285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.326285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.326285 (E_RNA)
where:
Base-Base interactions energy: -186.148
where: short stacking energy: -112.654
Base-Backbone interact. energy: -0.497
local terms energy: -195.681889
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -66.047
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: 22.027
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: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1423.942417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.942417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.942417 (E_RNA)
where:
Base-Base interactions energy: -963.848
where: short stacking energy: -410.588
Base-Backbone interact. energy: -1.919
local terms energy: -458.175513
where:
bonds (distance) C4'-P energy: -89.392
bonds (distance) P-C4' energy: -85.490
flat angles C4'-P-C4' energy: -94.000
flat angles P-C4'-P energy: -58.651
tors. eta vs tors. theta energy: -130.642
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: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1361.734057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.734057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.734057 (E_RNA)
where:
Base-Base interactions energy: -939.357
where: short stacking energy: -374.881
Base-Backbone interact. energy: -1.668
local terms energy: -420.708438
where:
bonds (distance) C4'-P energy: -82.310
bonds (distance) P-C4' energy: -78.919
flat angles C4'-P-C4' energy: -86.505
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -118.711
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: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1287.765138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.765138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.765138 (E_RNA)
where:
Base-Base interactions energy: -887.401
where: short stacking energy: -361.187
Base-Backbone interact. energy: -2.173
local terms energy: -398.190824
where:
bonds (distance) C4'-P energy: -76.817
bonds (distance) P-C4' energy: -75.119
flat angles C4'-P-C4' energy: -80.868
flat angles P-C4'-P energy: -59.464
tors. eta vs tors. theta energy: -105.923
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: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1225.543618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.543618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.543618 (E_RNA)
where:
Base-Base interactions energy: -848.265
where: short stacking energy: -346.464
Base-Backbone interact. energy: 0.284
local terms energy: -377.562990
where:
bonds (distance) C4'-P energy: -81.542
bonds (distance) P-C4' energy: -61.522
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -105.043
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: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1152.505063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.505063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.505063 (E_RNA)
where:
Base-Base interactions energy: -759.617
where: short stacking energy: -306.119
Base-Backbone interact. energy: -1.057
local terms energy: -391.831649
where:
bonds (distance) C4'-P energy: -73.010
bonds (distance) P-C4' energy: -76.167
flat angles C4'-P-C4' energy: -84.989
flat angles P-C4'-P energy: -55.193
tors. eta vs tors. theta energy: -102.472
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: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1073.304007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.304007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.304007 (E_RNA)
where:
Base-Base interactions energy: -698.189
where: short stacking energy: -305.605
Base-Backbone interact. energy: -0.470
local terms energy: -374.644985
where:
bonds (distance) C4'-P energy: -68.301
bonds (distance) P-C4' energy: -78.473
flat angles C4'-P-C4' energy: -75.960
flat angles P-C4'-P energy: -56.069
tors. eta vs tors. theta energy: -95.843
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: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -833.072381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.072381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.072381 (E_RNA)
where:
Base-Base interactions energy: -548.924
where: short stacking energy: -242.394
Base-Backbone interact. energy: 0.857
local terms energy: -285.005396
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -69.615
flat angles C4'-P-C4' energy: -72.311
flat angles P-C4'-P energy: -30.193
tors. eta vs tors. theta energy: -58.970
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -692.787945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.787945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.787945 (E_RNA)
where:
Base-Base interactions energy: -420.284
where: short stacking energy: -193.395
Base-Backbone interact. energy: -0.337
local terms energy: -272.167138
where:
bonds (distance) C4'-P energy: -73.085
bonds (distance) P-C4' energy: -61.641
flat angles C4'-P-C4' energy: -53.228
flat angles P-C4'-P energy: -44.575
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: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -382.109290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.109290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.109290 (E_RNA)
where:
Base-Base interactions energy: -183.186
where: short stacking energy: -118.961
Base-Backbone interact. energy: 3.378
local terms energy: -202.301727
where:
bonds (distance) C4'-P energy: -62.905
bonds (distance) P-C4' energy: -66.642
flat angles C4'-P-C4' energy: -42.185
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: 1.904
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: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -326.399172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.399172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.399172 (E_RNA)
where:
Base-Base interactions energy: -85.438
where: short stacking energy: -81.223
Base-Backbone interact. energy: -2.800
local terms energy: -238.161766
where:
bonds (distance) C4'-P energy: -72.692
bonds (distance) P-C4' energy: -83.044
flat angles C4'-P-C4' energy: -52.133
flat angles P-C4'-P energy: -32.929
tors. eta vs tors. theta energy: 2.636
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: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1393.550936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.550936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.550936 (E_RNA)
where:
Base-Base interactions energy: -941.564
where: short stacking energy: -394.524
Base-Backbone interact. energy: -1.169
local terms energy: -450.817964
where:
bonds (distance) C4'-P energy: -84.443
bonds (distance) P-C4' energy: -86.224
flat angles C4'-P-C4' energy: -83.406
flat angles P-C4'-P energy: -64.430
tors. eta vs tors. theta energy: -132.315
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: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1374.507930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.507930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.507930 (E_RNA)
where:
Base-Base interactions energy: -929.026
where: short stacking energy: -370.749
Base-Backbone interact. energy: 1.176
local terms energy: -446.658130
where:
bonds (distance) C4'-P energy: -87.483
bonds (distance) P-C4' energy: -74.146
flat angles C4'-P-C4' energy: -102.217
flat angles P-C4'-P energy: -61.064
tors. eta vs tors. theta energy: -121.748
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: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1288.503098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.503098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.503098 (E_RNA)
where:
Base-Base interactions energy: -881.066
where: short stacking energy: -369.321
Base-Backbone interact. energy: -0.747
local terms energy: -406.690292
where:
bonds (distance) C4'-P energy: -72.003
bonds (distance) P-C4' energy: -82.238
flat angles C4'-P-C4' energy: -84.523
flat angles P-C4'-P energy: -53.366
tors. eta vs tors. theta energy: -114.559
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: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1213.192239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.192239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.192239 (E_RNA)
where:
Base-Base interactions energy: -831.673
where: short stacking energy: -333.835
Base-Backbone interact. energy: -2.540
local terms energy: -378.978738
where:
bonds (distance) C4'-P energy: -71.892
bonds (distance) P-C4' energy: -82.503
flat angles C4'-P-C4' energy: -76.731
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -99.229
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: 363
Temperature: 1.100000
Total energy: -1134.243416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.243416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.243416 (E_RNA)
where:
Base-Base interactions energy: -739.146
where: short stacking energy: -316.274
Base-Backbone interact. energy: 2.491
local terms energy: -397.588604
where:
bonds (distance) C4'-P energy: -78.691
bonds (distance) P-C4' energy: -72.074
flat angles C4'-P-C4' energy: -90.707
flat angles P-C4'-P energy: -64.893
tors. eta vs tors. theta energy: -91.223
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: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1037.069259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.069259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.069259 (E_RNA)
where:
Base-Base interactions energy: -674.610
where: short stacking energy: -292.061
Base-Backbone interact. energy: -3.098
local terms energy: -359.361797
where:
bonds (distance) C4'-P energy: -73.817
bonds (distance) P-C4' energy: -74.787
flat angles C4'-P-C4' energy: -82.355
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -82.438
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: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -818.231690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.231690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.231690 (E_RNA)
where:
Base-Base interactions energy: -490.878
where: short stacking energy: -231.874
Base-Backbone interact. energy: -0.088
local terms energy: -327.265658
where:
bonds (distance) C4'-P energy: -68.782
bonds (distance) P-C4' energy: -59.776
flat angles C4'-P-C4' energy: -90.222
flat angles P-C4'-P energy: -54.359
tors. eta vs tors. theta energy: -54.126
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: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -722.113112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.113112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.113112 (E_RNA)
where:
Base-Base interactions energy: -426.697
where: short stacking energy: -207.841
Base-Backbone interact. energy: -1.522
local terms energy: -293.894909
where:
bonds (distance) C4'-P energy: -65.180
bonds (distance) P-C4' energy: -71.057
flat angles C4'-P-C4' energy: -63.853
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -49.631
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: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -456.663065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.663065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.663065 (E_RNA)
where:
Base-Base interactions energy: -235.955
where: short stacking energy: -128.472
Base-Backbone interact. energy: -1.705
local terms energy: -219.003132
where:
bonds (distance) C4'-P energy: -69.314
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -54.474
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: 0.253
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: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -309.477154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.477154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.477154 (E_RNA)
where:
Base-Base interactions energy: -99.358
where: short stacking energy: -69.311
Base-Backbone interact. energy: 1.639
local terms energy: -211.757874
where:
bonds (distance) C4'-P energy: -65.972
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -44.033
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: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1389.686467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.686467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.686467 (E_RNA)
where:
Base-Base interactions energy: -935.078
where: short stacking energy: -397.411
Base-Backbone interact. energy: -1.362
local terms energy: -453.246050
where:
bonds (distance) C4'-P energy: -80.662
bonds (distance) P-C4' energy: -87.355
flat angles C4'-P-C4' energy: -92.321
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -129.092
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: 364
Temperature: 0.950000
Total energy: -1380.754401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.754401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.754401 (E_RNA)
where:
Base-Base interactions energy: -961.296
where: short stacking energy: -401.701
Base-Backbone interact. energy: -1.246
local terms energy: -418.213135
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -69.653
flat angles C4'-P-C4' energy: -93.445
flat angles P-C4'-P energy: -60.490
tors. eta vs tors. theta energy: -119.015
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: 364
Temperature: 1.000000
Total energy: -1290.961690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.961690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.961690 (E_RNA)
where:
Base-Base interactions energy: -871.021
where: short stacking energy: -343.873
Base-Backbone interact. energy: -3.096
local terms energy: -416.844783
where:
bonds (distance) C4'-P energy: -84.100
bonds (distance) P-C4' energy: -76.078
flat angles C4'-P-C4' energy: -87.173
flat angles P-C4'-P energy: -64.614
tors. eta vs tors. theta energy: -104.880
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1172.031343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.031343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.031343 (E_RNA)
where:
Base-Base interactions energy: -820.264
where: short stacking energy: -344.610
Base-Backbone interact. energy: -1.271
local terms energy: -350.496357
where:
bonds (distance) C4'-P energy: -65.750
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -84.626
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -89.785
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: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1139.102671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.102671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.102671 (E_RNA)
where:
Base-Base interactions energy: -774.243
where: short stacking energy: -312.461
Base-Backbone interact. energy: -1.525
local terms energy: -363.334341
where:
bonds (distance) C4'-P energy: -63.862
bonds (distance) P-C4' energy: -69.485
flat angles C4'-P-C4' energy: -81.691
flat angles P-C4'-P energy: -56.171
tors. eta vs tors. theta energy: -92.125
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: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1012.054334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.054334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.054334 (E_RNA)
where:
Base-Base interactions energy: -678.884
where: short stacking energy: -286.417
Base-Backbone interact. energy: -2.622
local terms energy: -330.548423
where:
bonds (distance) C4'-P energy: -72.970
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -80.153
flat angles P-C4'-P energy: -35.764
tors. eta vs tors. theta energy: -78.216
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: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -780.957330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.957330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.957330 (E_RNA)
where:
Base-Base interactions energy: -471.403
where: short stacking energy: -226.314
Base-Backbone interact. energy: -0.361
local terms energy: -309.192992
where:
bonds (distance) C4'-P energy: -77.137
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -45.953
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: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -708.153175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.153175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.153175 (E_RNA)
where:
Base-Base interactions energy: -432.284
where: short stacking energy: -201.660
Base-Backbone interact. energy: 1.192
local terms energy: -277.062094
where:
bonds (distance) C4'-P energy: -69.352
bonds (distance) P-C4' energy: -77.730
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -39.126
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: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -474.603366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.603366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.603366 (E_RNA)
where:
Base-Base interactions energy: -235.230
where: short stacking energy: -151.025
Base-Backbone interact. energy: -1.997
local terms energy: -237.376715
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -51.166
tors. eta vs tors. theta energy: -2.062
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: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -304.943663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.943663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.943663 (E_RNA)
where:
Base-Base interactions energy: -107.843
where: short stacking energy: -84.941
Base-Backbone interact. energy: 2.247
local terms energy: -199.346979
where:
bonds (distance) C4'-P energy: -60.182
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: 19.358
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1431.377368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.377368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.377368 (E_RNA)
where:
Base-Base interactions energy: -964.599
where: short stacking energy: -417.402
Base-Backbone interact. energy: -0.924
local terms energy: -465.854194
where:
bonds (distance) C4'-P energy: -85.367
bonds (distance) P-C4' energy: -83.566
flat angles C4'-P-C4' energy: -94.794
flat angles P-C4'-P energy: -64.785
tors. eta vs tors. theta energy: -137.342
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: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1374.226274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.226274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.226274 (E_RNA)
where:
Base-Base interactions energy: -940.052
where: short stacking energy: -390.636
Base-Backbone interact. energy: -2.473
local terms energy: -431.701981
where:
bonds (distance) C4'-P energy: -79.887
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -54.809
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: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1276.547915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.547915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.547915 (E_RNA)
where:
Base-Base interactions energy: -881.960
where: short stacking energy: -335.959
Base-Backbone interact. energy: -2.912
local terms energy: -391.676084
where:
bonds (distance) C4'-P energy: -71.076
bonds (distance) P-C4' energy: -79.861
flat angles C4'-P-C4' energy: -89.299
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -101.581
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: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1213.765923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.765923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.765923 (E_RNA)
where:
Base-Base interactions energy: -829.350
where: short stacking energy: -343.269
Base-Backbone interact. energy: -2.242
local terms energy: -382.174362
where:
bonds (distance) C4'-P energy: -68.341
bonds (distance) P-C4' energy: -88.915
flat angles C4'-P-C4' energy: -72.540
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -107.453
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1107.800602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.800602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.800602 (E_RNA)
where:
Base-Base interactions energy: -766.838
where: short stacking energy: -333.200
Base-Backbone interact. energy: -1.828
local terms energy: -339.134602
where:
bonds (distance) C4'-P energy: -67.856
bonds (distance) P-C4' energy: -61.936
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -48.413
tors. eta vs tors. theta energy: -93.873
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: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1042.299941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.299941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.299941 (E_RNA)
where:
Base-Base interactions energy: -690.965
where: short stacking energy: -310.937
Base-Backbone interact. energy: -2.428
local terms energy: -348.906918
where:
bonds (distance) C4'-P energy: -61.106
bonds (distance) P-C4' energy: -62.207
flat angles C4'-P-C4' energy: -82.392
flat angles P-C4'-P energy: -54.550
tors. eta vs tors. theta energy: -88.652
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -704.373797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.373797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.373797 (E_RNA)
where:
Base-Base interactions energy: -417.355
where: short stacking energy: -188.345
Base-Backbone interact. energy: -0.751
local terms energy: -286.268175
where:
bonds (distance) C4'-P energy: -77.252
bonds (distance) P-C4' energy: -76.589
flat angles C4'-P-C4' energy: -60.263
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -30.573
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: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -715.294305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.294305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.294305 (E_RNA)
where:
Base-Base interactions energy: -431.605
where: short stacking energy: -203.364
Base-Backbone interact. energy: -2.445
local terms energy: -281.245056
where:
bonds (distance) C4'-P energy: -70.788
bonds (distance) P-C4' energy: -70.939
flat angles C4'-P-C4' energy: -59.864
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -33.330
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: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -499.442240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.442240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.442240 (E_RNA)
where:
Base-Base interactions energy: -234.281
where: short stacking energy: -139.047
Base-Backbone interact. energy: 2.743
local terms energy: -267.904413
where:
bonds (distance) C4'-P energy: -59.797
bonds (distance) P-C4' energy: -78.304
flat angles C4'-P-C4' energy: -59.172
flat angles P-C4'-P energy: -49.106
tors. eta vs tors. theta energy: -21.525
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: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -311.056202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.056202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.056202 (E_RNA)
where:
Base-Base interactions energy: -105.802
where: short stacking energy: -86.616
Base-Backbone interact. energy: -0.480
local terms energy: -204.773487
where:
bonds (distance) C4'-P energy: -63.870
bonds (distance) P-C4' energy: -69.804
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -38.001
tors. eta vs tors. theta energy: 25.685
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: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1426.504171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.504171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.504171 (E_RNA)
where:
Base-Base interactions energy: -972.775
where: short stacking energy: -400.343
Base-Backbone interact. energy: -1.120
local terms energy: -452.609012
where:
bonds (distance) C4'-P energy: -74.316
bonds (distance) P-C4' energy: -92.678
flat angles C4'-P-C4' energy: -92.226
flat angles P-C4'-P energy: -61.853
tors. eta vs tors. theta energy: -131.536
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: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1359.692257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.692257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.692257 (E_RNA)
where:
Base-Base interactions energy: -938.590
where: short stacking energy: -362.773
Base-Backbone interact. energy: 0.626
local terms energy: -421.728715
where:
bonds (distance) C4'-P energy: -70.846
bonds (distance) P-C4' energy: -87.131
flat angles C4'-P-C4' energy: -95.010
flat angles P-C4'-P energy: -57.467
tors. eta vs tors. theta energy: -111.275
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: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1319.961459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.961459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.961459 (E_RNA)
where:
Base-Base interactions energy: -921.705
where: short stacking energy: -386.554
Base-Backbone interact. energy: 3.594
local terms energy: -401.850502
where:
bonds (distance) C4'-P energy: -77.286
bonds (distance) P-C4' energy: -80.135
flat angles C4'-P-C4' energy: -86.015
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -105.514
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: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1196.090974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.090974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.090974 (E_RNA)
where:
Base-Base interactions energy: -787.566
where: short stacking energy: -350.388
Base-Backbone interact. energy: -0.493
local terms energy: -408.032028
where:
bonds (distance) C4'-P energy: -79.047
bonds (distance) P-C4' energy: -82.243
flat angles C4'-P-C4' energy: -81.120
flat angles P-C4'-P energy: -57.891
tors. eta vs tors. theta energy: -107.731
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: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1130.410482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.410482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.410482 (E_RNA)
where:
Base-Base interactions energy: -772.308
where: short stacking energy: -312.958
Base-Backbone interact. energy: -1.873
local terms energy: -356.229932
where:
bonds (distance) C4'-P energy: -70.324
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -78.397
flat angles P-C4'-P energy: -57.332
tors. eta vs tors. theta energy: -83.967
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: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1047.437577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.437577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.437577 (E_RNA)
where:
Base-Base interactions energy: -686.863
where: short stacking energy: -296.185
Base-Backbone interact. energy: -1.866
local terms energy: -358.709340
where:
bonds (distance) C4'-P energy: -72.396
bonds (distance) P-C4' energy: -77.596
flat angles C4'-P-C4' energy: -72.584
flat angles P-C4'-P energy: -53.769
tors. eta vs tors. theta energy: -82.364
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: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -805.609058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.609058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.609058 (E_RNA)
where:
Base-Base interactions energy: -486.561
where: short stacking energy: -254.432
Base-Backbone interact. energy: -1.244
local terms energy: -317.803451
where:
bonds (distance) C4'-P energy: -67.463
bonds (distance) P-C4' energy: -70.446
flat angles C4'-P-C4' energy: -78.753
flat angles P-C4'-P energy: -46.222
tors. eta vs tors. theta energy: -54.919
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: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -725.601069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.601069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.601069 (E_RNA)
where:
Base-Base interactions energy: -443.632
where: short stacking energy: -193.310
Base-Backbone interact. energy: -1.914
local terms energy: -280.055291
where:
bonds (distance) C4'-P energy: -57.766
bonds (distance) P-C4' energy: -78.547
flat angles C4'-P-C4' energy: -66.370
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -39.143
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: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -414.262466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.262466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.262466 (E_RNA)
where:
Base-Base interactions energy: -202.120
where: short stacking energy: -114.741
Base-Backbone interact. energy: -0.816
local terms energy: -211.326869
where:
bonds (distance) C4'-P energy: -56.406
bonds (distance) P-C4' energy: -72.240
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -27.171
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: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -319.666972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.666972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.666972 (E_RNA)
where:
Base-Base interactions energy: -109.510
where: short stacking energy: -89.094
Base-Backbone interact. energy: 1.895
local terms energy: -212.052096
where:
bonds (distance) C4'-P energy: -64.618
bonds (distance) P-C4' energy: -64.979
flat angles C4'-P-C4' energy: -54.481
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: 6.002
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: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1431.246155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.246155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.246155 (E_RNA)
where:
Base-Base interactions energy: -980.823
where: short stacking energy: -408.584
Base-Backbone interact. energy: -1.557
local terms energy: -448.866501
where:
bonds (distance) C4'-P energy: -83.278
bonds (distance) P-C4' energy: -80.730
flat angles C4'-P-C4' energy: -99.682
flat angles P-C4'-P energy: -58.614
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: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1338.838076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.838076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.838076 (E_RNA)
where:
Base-Base interactions energy: -916.511
where: short stacking energy: -372.288
Base-Backbone interact. energy: -1.815
local terms energy: -420.512659
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -88.319
flat angles C4'-P-C4' energy: -83.656
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -117.443
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: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1280.175359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.175359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.175359 (E_RNA)
where:
Base-Base interactions energy: -891.436
where: short stacking energy: -372.887
Base-Backbone interact. energy: 0.233
local terms energy: -388.972457
where:
bonds (distance) C4'-P energy: -61.534
bonds (distance) P-C4' energy: -73.311
flat angles C4'-P-C4' energy: -87.056
flat angles P-C4'-P energy: -57.842
tors. eta vs tors. theta energy: -109.230
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: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1227.188283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.188283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.188283 (E_RNA)
where:
Base-Base interactions energy: -824.580
where: short stacking energy: -346.775
Base-Backbone interact. energy: -0.326
local terms energy: -402.281974
where:
bonds (distance) C4'-P energy: -70.650
bonds (distance) P-C4' energy: -80.092
flat angles C4'-P-C4' energy: -79.966
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -115.972
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: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1120.038276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.038276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.038276 (E_RNA)
where:
Base-Base interactions energy: -757.497
where: short stacking energy: -318.613
Base-Backbone interact. energy: -1.961
local terms energy: -360.579725
where:
bonds (distance) C4'-P energy: -69.431
bonds (distance) P-C4' energy: -74.388
flat angles C4'-P-C4' energy: -74.305
flat angles P-C4'-P energy: -54.485
tors. eta vs tors. theta energy: -87.971
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1066.295031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.295031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.295031 (E_RNA)
where:
Base-Base interactions energy: -710.023
where: short stacking energy: -311.446
Base-Backbone interact. energy: -0.428
local terms energy: -355.844802
where:
bonds (distance) C4'-P energy: -68.182
bonds (distance) P-C4' energy: -75.575
flat angles C4'-P-C4' energy: -76.936
flat angles P-C4'-P energy: -46.091
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: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -828.686786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.686786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.686786 (E_RNA)
where:
Base-Base interactions energy: -525.062
where: short stacking energy: -241.764
Base-Backbone interact. energy: 0.535
local terms energy: -304.158985
where:
bonds (distance) C4'-P energy: -77.388
bonds (distance) P-C4' energy: -59.659
flat angles C4'-P-C4' energy: -76.310
flat angles P-C4'-P energy: -39.064
tors. eta vs tors. theta energy: -51.739
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: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -678.245231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.245231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.245231 (E_RNA)
where:
Base-Base interactions energy: -414.791
where: short stacking energy: -187.512
Base-Backbone interact. energy: 5.560
local terms energy: -269.014326
where:
bonds (distance) C4'-P energy: -76.487
bonds (distance) P-C4' energy: -69.617
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -37.373
tors. eta vs tors. theta energy: -32.743
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -392.301319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.301319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.301319 (E_RNA)
where:
Base-Base interactions energy: -171.003
where: short stacking energy: -124.911
Base-Backbone interact. energy: 1.002
local terms energy: -222.300424
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -71.003
flat angles C4'-P-C4' energy: -49.168
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -2.358
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: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -351.778213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.778213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.778213 (E_RNA)
where:
Base-Base interactions energy: -125.615
where: short stacking energy: -94.144
Base-Backbone interact. energy: -2.162
local terms energy: -224.001275
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -81.139
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: 2.322
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: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1429.285100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.285100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.285100 (E_RNA)
where:
Base-Base interactions energy: -980.661
where: short stacking energy: -400.617
Base-Backbone interact. energy: -0.720
local terms energy: -447.903747
where:
bonds (distance) C4'-P energy: -85.745
bonds (distance) P-C4' energy: -80.612
flat angles C4'-P-C4' energy: -86.391
flat angles P-C4'-P energy: -68.633
tors. eta vs tors. theta energy: -126.523
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: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1364.938536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.938536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.938536 (E_RNA)
where:
Base-Base interactions energy: -930.387
where: short stacking energy: -384.807
Base-Backbone interact. energy: -1.224
local terms energy: -433.327968
where:
bonds (distance) C4'-P energy: -85.833
bonds (distance) P-C4' energy: -78.433
flat angles C4'-P-C4' energy: -87.889
flat angles P-C4'-P energy: -63.189
tors. eta vs tors. theta energy: -117.984
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: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1299.125420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.125420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.125420 (E_RNA)
where:
Base-Base interactions energy: -887.286
where: short stacking energy: -380.716
Base-Backbone interact. energy: -1.563
local terms energy: -410.276491
where:
bonds (distance) C4'-P energy: -78.326
bonds (distance) P-C4' energy: -84.386
flat angles C4'-P-C4' energy: -87.835
flat angles P-C4'-P energy: -53.639
tors. eta vs tors. theta energy: -106.090
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: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1197.405700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.405700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.405700 (E_RNA)
where:
Base-Base interactions energy: -796.412
where: short stacking energy: -337.810
Base-Backbone interact. energy: -0.785
local terms energy: -400.209226
where:
bonds (distance) C4'-P energy: -73.987
bonds (distance) P-C4' energy: -85.254
flat angles C4'-P-C4' energy: -81.415
flat angles P-C4'-P energy: -52.867
tors. eta vs tors. theta energy: -106.687
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: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1143.075921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.075921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.075921 (E_RNA)
where:
Base-Base interactions energy: -769.767
where: short stacking energy: -317.571
Base-Backbone interact. energy: -2.276
local terms energy: -371.032482
where:
bonds (distance) C4'-P energy: -64.990
bonds (distance) P-C4' energy: -73.458
flat angles C4'-P-C4' energy: -84.563
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -100.325
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: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1064.438476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.438476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.438476 (E_RNA)
where:
Base-Base interactions energy: -714.120
where: short stacking energy: -312.926
Base-Backbone interact. energy: -1.318
local terms energy: -349.000571
where:
bonds (distance) C4'-P energy: -55.691
bonds (distance) P-C4' energy: -74.933
flat angles C4'-P-C4' energy: -83.170
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -88.361
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: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -753.262393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.262393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.262393 (E_RNA)
where:
Base-Base interactions energy: -466.361
where: short stacking energy: -219.334
Base-Backbone interact. energy: 0.805
local terms energy: -287.706280
where:
bonds (distance) C4'-P energy: -67.690
bonds (distance) P-C4' energy: -60.681
flat angles C4'-P-C4' energy: -70.754
flat angles P-C4'-P energy: -34.719
tors. eta vs tors. theta energy: -53.863
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: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -730.787952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.787952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.787952 (E_RNA)
where:
Base-Base interactions energy: -459.076
where: short stacking energy: -209.624
Base-Backbone interact. energy: -0.469
local terms energy: -271.242707
where:
bonds (distance) C4'-P energy: -57.684
bonds (distance) P-C4' energy: -70.784
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: -42.206
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: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -432.364711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.364711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.364711 (E_RNA)
where:
Base-Base interactions energy: -198.933
where: short stacking energy: -130.986
Base-Backbone interact. energy: -0.536
local terms energy: -232.895616
where:
bonds (distance) C4'-P energy: -55.425
bonds (distance) P-C4' energy: -70.876
flat angles C4'-P-C4' energy: -69.753
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: -0.531
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: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -306.122204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.122204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.122204 (E_RNA)
where:
Base-Base interactions energy: -85.630
where: short stacking energy: -78.244
Base-Backbone interact. energy: -0.988
local terms energy: -219.504364
where:
bonds (distance) C4'-P energy: -82.332
bonds (distance) P-C4' energy: -78.798
flat angles C4'-P-C4' energy: -47.116
flat angles P-C4'-P energy: -28.615
tors. eta vs tors. theta energy: 17.357
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: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1430.492794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.492794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.492794 (E_RNA)
where:
Base-Base interactions energy: -1004.048
where: short stacking energy: -424.198
Base-Backbone interact. energy: -2.612
local terms energy: -423.832572
where:
bonds (distance) C4'-P energy: -80.708
bonds (distance) P-C4' energy: -73.471
flat angles C4'-P-C4' energy: -93.020
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: -124.197
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: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1339.590374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.590374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.590374 (E_RNA)
where:
Base-Base interactions energy: -924.040
where: short stacking energy: -387.543
Base-Backbone interact. energy: -0.998
local terms energy: -414.552524
where:
bonds (distance) C4'-P energy: -74.524
bonds (distance) P-C4' energy: -79.391
flat angles C4'-P-C4' energy: -91.209
flat angles P-C4'-P energy: -56.927
tors. eta vs tors. theta energy: -112.501
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: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1306.712602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.712602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.712602 (E_RNA)
where:
Base-Base interactions energy: -910.179
where: short stacking energy: -382.914
Base-Backbone interact. energy: 0.275
local terms energy: -396.809217
where:
bonds (distance) C4'-P energy: -72.600
bonds (distance) P-C4' energy: -79.932
flat angles C4'-P-C4' energy: -91.946
flat angles P-C4'-P energy: -48.179
tors. eta vs tors. theta energy: -104.152
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: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1204.834552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.834552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.834552 (E_RNA)
where:
Base-Base interactions energy: -793.494
where: short stacking energy: -346.760
Base-Backbone interact. energy: 0.839
local terms energy: -412.179527
where:
bonds (distance) C4'-P energy: -72.053
bonds (distance) P-C4' energy: -78.180
flat angles C4'-P-C4' energy: -84.698
flat angles P-C4'-P energy: -64.066
tors. eta vs tors. theta energy: -113.183
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: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1169.617931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.617931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.617931 (E_RNA)
where:
Base-Base interactions energy: -784.094
where: short stacking energy: -318.196
Base-Backbone interact. energy: -1.091
local terms energy: -384.433605
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -77.740
flat angles C4'-P-C4' energy: -73.068
flat angles P-C4'-P energy: -57.363
tors. eta vs tors. theta energy: -97.624
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: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1089.510006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.510006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.510006 (E_RNA)
where:
Base-Base interactions energy: -714.894
where: short stacking energy: -323.743
Base-Backbone interact. energy: 2.110
local terms energy: -376.725171
where:
bonds (distance) C4'-P energy: -70.704
bonds (distance) P-C4' energy: -72.525
flat angles C4'-P-C4' energy: -84.017
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -95.648
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: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -717.549148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.549148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.549148 (E_RNA)
where:
Base-Base interactions energy: -428.510
where: short stacking energy: -180.272
Base-Backbone interact. energy: 0.545
local terms energy: -289.583611
where:
bonds (distance) C4'-P energy: -79.799
bonds (distance) P-C4' energy: -74.066
flat angles C4'-P-C4' energy: -65.440
flat angles P-C4'-P energy: -39.965
tors. eta vs tors. theta energy: -30.313
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: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -713.235541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.235541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.235541 (E_RNA)
where:
Base-Base interactions energy: -414.076
where: short stacking energy: -191.334
Base-Backbone interact. energy: -0.626
local terms energy: -298.533824
where:
bonds (distance) C4'-P energy: -61.999
bonds (distance) P-C4' energy: -78.920
flat angles C4'-P-C4' energy: -73.018
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -38.200
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: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -412.352748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.352748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.352748 (E_RNA)
where:
Base-Base interactions energy: -194.294
where: short stacking energy: -126.047
Base-Backbone interact. energy: 1.095
local terms energy: -219.154518
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -78.385
flat angles C4'-P-C4' energy: -59.166
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: 7.542
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: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -329.929902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.929902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.929902 (E_RNA)
where:
Base-Base interactions energy: -119.138
where: short stacking energy: -102.276
Base-Backbone interact. energy: 2.485
local terms energy: -213.276725
where:
bonds (distance) C4'-P energy: -68.966
bonds (distance) P-C4' energy: -65.717
flat angles C4'-P-C4' energy: -47.744
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: 2.983
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: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1438.881642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.881642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.881642 (E_RNA)
where:
Base-Base interactions energy: -991.398
where: short stacking energy: -407.291
Base-Backbone interact. energy: -1.820
local terms energy: -445.664004
where:
bonds (distance) C4'-P energy: -83.181
bonds (distance) P-C4' energy: -77.715
flat angles C4'-P-C4' energy: -91.407
flat angles P-C4'-P energy: -64.001
tors. eta vs tors. theta energy: -129.361
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: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1325.353111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.353111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.353111 (E_RNA)
where:
Base-Base interactions energy: -929.186
where: short stacking energy: -386.997
Base-Backbone interact. energy: -1.196
local terms energy: -394.971518
where:
bonds (distance) C4'-P energy: -74.041
bonds (distance) P-C4' energy: -65.722
flat angles C4'-P-C4' energy: -83.598
flat angles P-C4'-P energy: -54.428
tors. eta vs tors. theta energy: -117.183
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: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1319.802942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.802942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.802942 (E_RNA)
where:
Base-Base interactions energy: -902.638
where: short stacking energy: -391.223
Base-Backbone interact. energy: 1.399
local terms energy: -418.564177
where:
bonds (distance) C4'-P energy: -73.314
bonds (distance) P-C4' energy: -84.939
flat angles C4'-P-C4' energy: -88.539
flat angles P-C4'-P energy: -56.300
tors. eta vs tors. theta energy: -115.473
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: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1230.460527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.460527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.460527 (E_RNA)
where:
Base-Base interactions energy: -829.587
where: short stacking energy: -365.610
Base-Backbone interact. energy: -0.846
local terms energy: -400.027090
where:
bonds (distance) C4'-P energy: -78.811
bonds (distance) P-C4' energy: -86.150
flat angles C4'-P-C4' energy: -71.506
flat angles P-C4'-P energy: -48.971
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: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1165.089381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.089381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.089381 (E_RNA)
where:
Base-Base interactions energy: -809.767
where: short stacking energy: -327.763
Base-Backbone interact. energy: -0.043
local terms energy: -355.279510
where:
bonds (distance) C4'-P energy: -72.331
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -80.013
flat angles P-C4'-P energy: -47.954
tors. eta vs tors. theta energy: -94.181
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: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1118.493205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.493205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.493205 (E_RNA)
where:
Base-Base interactions energy: -745.075
where: short stacking energy: -335.875
Base-Backbone interact. energy: -0.685
local terms energy: -372.733933
where:
bonds (distance) C4'-P energy: -76.122
bonds (distance) P-C4' energy: -74.527
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -100.827
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: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -785.940499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.940499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.940499 (E_RNA)
where:
Base-Base interactions energy: -473.234
where: short stacking energy: -209.004
Base-Backbone interact. energy: 0.873
local terms energy: -313.579488
where:
bonds (distance) C4'-P energy: -67.766
bonds (distance) P-C4' energy: -86.219
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -62.776
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -649.187015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.187015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.187015 (E_RNA)
where:
Base-Base interactions energy: -379.875
where: short stacking energy: -162.645
Base-Backbone interact. energy: 0.717
local terms energy: -270.029657
where:
bonds (distance) C4'-P energy: -70.236
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -72.184
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -24.223
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -389.653600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.653600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.653600 (E_RNA)
where:
Base-Base interactions energy: -174.115
where: short stacking energy: -100.148
Base-Backbone interact. energy: -0.180
local terms energy: -215.358354
where:
bonds (distance) C4'-P energy: -68.577
bonds (distance) P-C4' energy: -68.644
flat angles C4'-P-C4' energy: -52.578
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: 12.279
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: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -332.448540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.448540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.448540 (E_RNA)
where:
Base-Base interactions energy: -108.476
where: short stacking energy: -95.816
Base-Backbone interact. energy: -0.867
local terms energy: -223.105687
where:
bonds (distance) C4'-P energy: -65.067
bonds (distance) P-C4' energy: -77.256
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: 4.911
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: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1397.595074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.595074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.595074 (E_RNA)
where:
Base-Base interactions energy: -959.072
where: short stacking energy: -407.382
Base-Backbone interact. energy: -2.995
local terms energy: -435.527289
where:
bonds (distance) C4'-P energy: -66.928
bonds (distance) P-C4' energy: -84.834
flat angles C4'-P-C4' energy: -93.449
flat angles P-C4'-P energy: -64.255
tors. eta vs tors. theta energy: -126.061
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: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1341.082359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.082359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.082359 (E_RNA)
where:
Base-Base interactions energy: -925.813
where: short stacking energy: -375.422
Base-Backbone interact. energy: -1.209
local terms energy: -414.060648
where:
bonds (distance) C4'-P energy: -80.174
bonds (distance) P-C4' energy: -81.317
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -59.103
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1297.698407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.698407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.698407 (E_RNA)
where:
Base-Base interactions energy: -887.621
where: short stacking energy: -369.102
Base-Backbone interact. energy: -1.256
local terms energy: -408.821620
where:
bonds (distance) C4'-P energy: -77.376
bonds (distance) P-C4' energy: -72.083
flat angles C4'-P-C4' energy: -87.489
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: -117.966
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: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1216.854432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.854432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.854432 (E_RNA)
where:
Base-Base interactions energy: -837.745
where: short stacking energy: -362.204
Base-Backbone interact. energy: -0.230
local terms energy: -378.879149
where:
bonds (distance) C4'-P energy: -62.096
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -82.912
flat angles P-C4'-P energy: -55.995
tors. eta vs tors. theta energy: -105.916
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: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1135.522806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.522806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.522806 (E_RNA)
where:
Base-Base interactions energy: -781.454
where: short stacking energy: -316.546
Base-Backbone interact. energy: -4.272
local terms energy: -349.796202
where:
bonds (distance) C4'-P energy: -64.751
bonds (distance) P-C4' energy: -69.262
flat angles C4'-P-C4' energy: -75.534
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: -90.805
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: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1125.566984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.566984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.566984 (E_RNA)
where:
Base-Base interactions energy: -775.006
where: short stacking energy: -323.109
Base-Backbone interact. energy: 0.290
local terms energy: -350.851125
where:
bonds (distance) C4'-P energy: -71.907
bonds (distance) P-C4' energy: -61.027
flat angles C4'-P-C4' energy: -85.186
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -94.206
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: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -791.777524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.777524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.777524 (E_RNA)
where:
Base-Base interactions energy: -517.356
where: short stacking energy: -232.791
Base-Backbone interact. energy: -0.053
local terms energy: -274.368527
where:
bonds (distance) C4'-P energy: -70.706
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -58.925
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -59.370
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: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -668.251156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.251156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.251156 (E_RNA)
where:
Base-Base interactions energy: -412.352
where: short stacking energy: -194.455
Base-Backbone interact. energy: -0.732
local terms energy: -255.167030
where:
bonds (distance) C4'-P energy: -67.811
bonds (distance) P-C4' energy: -61.507
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -30.287
tors. eta vs tors. theta energy: -35.385
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: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -413.787161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.787161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.787161 (E_RNA)
where:
Base-Base interactions energy: -198.910
where: short stacking energy: -120.156
Base-Backbone interact. energy: -1.710
local terms energy: -213.166798
where:
bonds (distance) C4'-P energy: -65.170
bonds (distance) P-C4' energy: -66.037
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: 6.858
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: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -336.663379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.663379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.663379 (E_RNA)
where:
Base-Base interactions energy: -133.760
where: short stacking energy: -80.503
Base-Backbone interact. energy: -1.377
local terms energy: -201.526481
where:
bonds (distance) C4'-P energy: -59.936
bonds (distance) P-C4' energy: -62.398
flat angles C4'-P-C4' energy: -58.073
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: 17.477
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: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1407.624718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.624718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.624718 (E_RNA)
where:
Base-Base interactions energy: -979.965
where: short stacking energy: -415.390
Base-Backbone interact. energy: -3.104
local terms energy: -424.556215
where:
bonds (distance) C4'-P energy: -73.271
bonds (distance) P-C4' energy: -70.459
flat angles C4'-P-C4' energy: -90.057
flat angles P-C4'-P energy: -56.676
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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1355.611883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.611883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.611883 (E_RNA)
where:
Base-Base interactions energy: -919.873
where: short stacking energy: -374.799
Base-Backbone interact. energy: -1.097
local terms energy: -434.641896
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -80.022
flat angles C4'-P-C4' energy: -89.545
flat angles P-C4'-P energy: -59.990
tors. eta vs tors. theta energy: -119.147
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: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1285.088940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.088940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.088940 (E_RNA)
where:
Base-Base interactions energy: -887.384
where: short stacking energy: -371.373
Base-Backbone interact. energy: -1.583
local terms energy: -396.122247
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -83.155
flat angles C4'-P-C4' energy: -88.411
flat angles P-C4'-P energy: -52.815
tors. eta vs tors. theta energy: -110.285
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: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1228.736255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.736255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.736255 (E_RNA)
where:
Base-Base interactions energy: -816.616
where: short stacking energy: -344.130
Base-Backbone interact. energy: -1.604
local terms energy: -410.516276
where:
bonds (distance) C4'-P energy: -73.298
bonds (distance) P-C4' energy: -72.643
flat angles C4'-P-C4' energy: -93.059
flat angles P-C4'-P energy: -61.284
tors. eta vs tors. theta energy: -110.233
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: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1163.439621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.439621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.439621 (E_RNA)
where:
Base-Base interactions energy: -773.503
where: short stacking energy: -344.826
Base-Backbone interact. energy: -1.667
local terms energy: -388.268971
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -70.184
flat angles C4'-P-C4' energy: -88.000
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -98.187
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: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1115.910664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.910664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.910664 (E_RNA)
where:
Base-Base interactions energy: -759.344
where: short stacking energy: -308.504
Base-Backbone interact. energy: -1.518
local terms energy: -355.048136
where:
bonds (distance) C4'-P energy: -66.509
bonds (distance) P-C4' energy: -70.833
flat angles C4'-P-C4' energy: -83.620
flat angles P-C4'-P energy: -46.883
tors. eta vs tors. theta energy: -87.203
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -749.437154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.437154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.437154 (E_RNA)
where:
Base-Base interactions energy: -446.396
where: short stacking energy: -206.474
Base-Backbone interact. energy: 2.275
local terms energy: -305.316245
where:
bonds (distance) C4'-P energy: -74.128
bonds (distance) P-C4' energy: -70.408
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -47.715
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: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -627.093324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.093324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.093324 (E_RNA)
where:
Base-Base interactions energy: -377.424
where: short stacking energy: -186.441
Base-Backbone interact. energy: 0.337
local terms energy: -250.005962
where:
bonds (distance) C4'-P energy: -65.022
bonds (distance) P-C4' energy: -63.470
flat angles C4'-P-C4' energy: -65.950
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -25.650
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: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -397.142158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.142158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.142158 (E_RNA)
where:
Base-Base interactions energy: -170.191
where: short stacking energy: -105.958
Base-Backbone interact. energy: -1.127
local terms energy: -225.823894
where:
bonds (distance) C4'-P energy: -68.169
bonds (distance) P-C4' energy: -62.963
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -27.363
tors. eta vs tors. theta energy: -7.248
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: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -338.782611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.782611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.782611 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -97.359
Base-Backbone interact. energy: 2.040
local terms energy: -226.674838
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -75.679
flat angles C4'-P-C4' energy: -50.577
flat angles P-C4'-P energy: -22.309
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)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1432.030819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.030819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.030819 (E_RNA)
where:
Base-Base interactions energy: -978.403
where: short stacking energy: -397.896
Base-Backbone interact. energy: -1.511
local terms energy: -452.117132
where:
bonds (distance) C4'-P energy: -83.563
bonds (distance) P-C4' energy: -85.258
flat angles C4'-P-C4' energy: -96.375
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -129.986
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: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1333.275790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.275790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.275790 (E_RNA)
where:
Base-Base interactions energy: -908.127
where: short stacking energy: -374.619
Base-Backbone interact. energy: 0.341
local terms energy: -425.489515
where:
bonds (distance) C4'-P energy: -73.273
bonds (distance) P-C4' energy: -82.362
flat angles C4'-P-C4' energy: -90.779
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -110.634
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: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1304.238966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.238966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.238966 (E_RNA)
where:
Base-Base interactions energy: -879.429
where: short stacking energy: -362.418
Base-Backbone interact. energy: -2.199
local terms energy: -422.611186
where:
bonds (distance) C4'-P energy: -92.512
bonds (distance) P-C4' energy: -81.100
flat angles C4'-P-C4' energy: -91.198
flat angles P-C4'-P energy: -45.717
tors. eta vs tors. theta energy: -112.084
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: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1253.165257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.165257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.165257 (E_RNA)
where:
Base-Base interactions energy: -841.143
where: short stacking energy: -368.837
Base-Backbone interact. energy: -1.672
local terms energy: -410.349907
where:
bonds (distance) C4'-P energy: -63.503
bonds (distance) P-C4' energy: -78.767
flat angles C4'-P-C4' energy: -86.599
flat angles P-C4'-P energy: -60.833
tors. eta vs tors. theta energy: -120.648
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: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1152.870729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.870729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.870729 (E_RNA)
where:
Base-Base interactions energy: -764.971
where: short stacking energy: -329.255
Base-Backbone interact. energy: -2.594
local terms energy: -385.306209
where:
bonds (distance) C4'-P energy: -65.227
bonds (distance) P-C4' energy: -78.181
flat angles C4'-P-C4' energy: -86.924
flat angles P-C4'-P energy: -53.750
tors. eta vs tors. theta energy: -101.225
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: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1066.730821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.730821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.730821 (E_RNA)
where:
Base-Base interactions energy: -715.689
where: short stacking energy: -304.970
Base-Backbone interact. energy: -1.654
local terms energy: -349.387741
where:
bonds (distance) C4'-P energy: -59.836
bonds (distance) P-C4' energy: -68.399
flat angles C4'-P-C4' energy: -74.673
flat angles P-C4'-P energy: -55.713
tors. eta vs tors. theta energy: -90.768
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: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -733.386850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.386850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.386850 (E_RNA)
where:
Base-Base interactions energy: -432.622
where: short stacking energy: -213.782
Base-Backbone interact. energy: 2.070
local terms energy: -302.835334
where:
bonds (distance) C4'-P energy: -79.495
bonds (distance) P-C4' energy: -68.133
flat angles C4'-P-C4' energy: -78.542
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -42.900
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: 373
Temperature: 1.250000
Total energy: -660.612157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.612157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.612157 (E_RNA)
where:
Base-Base interactions energy: -387.138
where: short stacking energy: -190.816
Base-Backbone interact. energy: -0.858
local terms energy: -272.616340
where:
bonds (distance) C4'-P energy: -63.357
bonds (distance) P-C4' energy: -72.736
flat angles C4'-P-C4' energy: -64.851
flat angles P-C4'-P energy: -38.918
tors. eta vs tors. theta energy: -32.754
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: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -442.723474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.723474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.723474 (E_RNA)
where:
Base-Base interactions energy: -189.210
where: short stacking energy: -103.249
Base-Backbone interact. energy: -0.947
local terms energy: -252.566499
where:
bonds (distance) C4'-P energy: -66.820
bonds (distance) P-C4' energy: -72.929
flat angles C4'-P-C4' energy: -58.573
flat angles P-C4'-P energy: -48.737
tors. eta vs tors. theta energy: -5.509
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -321.089289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.089289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.089289 (E_RNA)
where:
Base-Base interactions energy: -117.604
where: short stacking energy: -80.460
Base-Backbone interact. energy: -1.469
local terms energy: -202.016259
where:
bonds (distance) C4'-P energy: -77.609
bonds (distance) P-C4' energy: -67.859
flat angles C4'-P-C4' energy: -49.389
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: 22.370
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: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1429.022702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.022702 (E_RNA)
where:
Base-Base interactions energy: -986.433
where: short stacking energy: -408.620
Base-Backbone interact. energy: 0.326
local terms energy: -442.916237
where:
bonds (distance) C4'-P energy: -66.464
bonds (distance) P-C4' energy: -84.976
flat angles C4'-P-C4' energy: -93.062
flat angles P-C4'-P energy: -72.626
tors. eta vs tors. theta energy: -125.788
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: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1335.381902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.381902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.381902 (E_RNA)
where:
Base-Base interactions energy: -940.023
where: short stacking energy: -364.966
Base-Backbone interact. energy: -1.440
local terms energy: -393.918482
where:
bonds (distance) C4'-P energy: -70.298
bonds (distance) P-C4' energy: -78.361
flat angles C4'-P-C4' energy: -85.128
flat angles P-C4'-P energy: -53.617
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: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1273.256201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.256201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.256201 (E_RNA)
where:
Base-Base interactions energy: -882.264
where: short stacking energy: -372.369
Base-Backbone interact. energy: 4.725
local terms energy: -395.717232
where:
bonds (distance) C4'-P energy: -77.663
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -90.729
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -111.949
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: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1261.358010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.358010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.358010 (E_RNA)
where:
Base-Base interactions energy: -856.477
where: short stacking energy: -360.044
Base-Backbone interact. energy: -0.498
local terms energy: -404.383246
where:
bonds (distance) C4'-P energy: -63.372
bonds (distance) P-C4' energy: -83.675
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -61.184
tors. eta vs tors. theta energy: -111.905
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: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1192.670209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.670209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.670209 (E_RNA)
where:
Base-Base interactions energy: -821.270
where: short stacking energy: -345.915
Base-Backbone interact. energy: -1.279
local terms energy: -370.121470
where:
bonds (distance) C4'-P energy: -69.303
bonds (distance) P-C4' energy: -68.407
flat angles C4'-P-C4' energy: -77.974
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -112.577
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: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1096.343267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.343267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.343267 (E_RNA)
where:
Base-Base interactions energy: -724.477
where: short stacking energy: -320.097
Base-Backbone interact. energy: 2.819
local terms energy: -374.685184
where:
bonds (distance) C4'-P energy: -73.753
bonds (distance) P-C4' energy: -81.286
flat angles C4'-P-C4' energy: -68.498
flat angles P-C4'-P energy: -61.559
tors. eta vs tors. theta energy: -89.589
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: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -739.272509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.272509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.272509 (E_RNA)
where:
Base-Base interactions energy: -440.397
where: short stacking energy: -202.965
Base-Backbone interact. energy: -1.172
local terms energy: -297.704051
where:
bonds (distance) C4'-P energy: -74.745
bonds (distance) P-C4' energy: -86.360
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -40.663
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: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -689.401644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.401644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.401644 (E_RNA)
where:
Base-Base interactions energy: -433.716
where: short stacking energy: -189.654
Base-Backbone interact. energy: -1.739
local terms energy: -253.947610
where:
bonds (distance) C4'-P energy: -54.327
bonds (distance) P-C4' energy: -42.704
flat angles C4'-P-C4' energy: -66.390
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -35.343
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: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -429.516914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.516914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.516914 (E_RNA)
where:
Base-Base interactions energy: -174.809
where: short stacking energy: -95.327
Base-Backbone interact. energy: 0.402
local terms energy: -255.109436
where:
bonds (distance) C4'-P energy: -69.772
bonds (distance) P-C4' energy: -78.334
flat angles C4'-P-C4' energy: -62.783
flat angles P-C4'-P energy: -36.956
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -331.287555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.287555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.287555 (E_RNA)
where:
Base-Base interactions energy: -117.152
where: short stacking energy: -82.517
Base-Backbone interact. energy: 6.268
local terms energy: -220.403652
where:
bonds (distance) C4'-P energy: -76.211
bonds (distance) P-C4' energy: -64.907
flat angles C4'-P-C4' energy: -62.830
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: 24.550
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: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1432.690847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.690847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.690847 (E_RNA)
where:
Base-Base interactions energy: -977.478
where: short stacking energy: -418.072
Base-Backbone interact. energy: -0.741
local terms energy: -454.472241
where:
bonds (distance) C4'-P energy: -81.260
bonds (distance) P-C4' energy: -89.764
flat angles C4'-P-C4' energy: -92.731
flat angles P-C4'-P energy: -59.528
tors. eta vs tors. theta energy: -131.188
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: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1347.659255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.659255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.659255 (E_RNA)
where:
Base-Base interactions energy: -948.134
where: short stacking energy: -381.785
Base-Backbone interact. energy: 0.045
local terms energy: -399.570539
where:
bonds (distance) C4'-P energy: -69.268
bonds (distance) P-C4' energy: -71.627
flat angles C4'-P-C4' energy: -90.629
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -116.717
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: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1287.407386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.407386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.407386 (E_RNA)
where:
Base-Base interactions energy: -897.051
where: short stacking energy: -384.696
Base-Backbone interact. energy: -3.923
local terms energy: -386.433267
where:
bonds (distance) C4'-P energy: -61.335
bonds (distance) P-C4' energy: -82.304
flat angles C4'-P-C4' energy: -85.101
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -110.895
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: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1284.735198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.735198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.735198 (E_RNA)
where:
Base-Base interactions energy: -877.892
where: short stacking energy: -377.475
Base-Backbone interact. energy: -1.100
local terms energy: -405.742711
where:
bonds (distance) C4'-P energy: -75.318
bonds (distance) P-C4' energy: -80.062
flat angles C4'-P-C4' energy: -81.546
flat angles P-C4'-P energy: -57.777
tors. eta vs tors. theta energy: -111.040
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: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1157.092882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.092882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.092882 (E_RNA)
where:
Base-Base interactions energy: -772.615
where: short stacking energy: -315.016
Base-Backbone interact. energy: -0.750
local terms energy: -383.727703
where:
bonds (distance) C4'-P energy: -75.117
bonds (distance) P-C4' energy: -84.598
flat angles C4'-P-C4' energy: -75.401
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -102.099
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: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1049.835767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.835767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.835767 (E_RNA)
where:
Base-Base interactions energy: -693.994
where: short stacking energy: -293.853
Base-Backbone interact. energy: -0.697
local terms energy: -355.145399
where:
bonds (distance) C4'-P energy: -71.355
bonds (distance) P-C4' energy: -70.995
flat angles C4'-P-C4' energy: -79.732
flat angles P-C4'-P energy: -42.928
tors. eta vs tors. theta energy: -90.135
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: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -745.679704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.679704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.679704 (E_RNA)
where:
Base-Base interactions energy: -441.004
where: short stacking energy: -211.173
Base-Backbone interact. energy: -0.772
local terms energy: -303.903413
where:
bonds (distance) C4'-P energy: -74.996
bonds (distance) P-C4' energy: -74.293
flat angles C4'-P-C4' energy: -70.956
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: -53.022
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: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -654.376435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.376435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.376435 (E_RNA)
where:
Base-Base interactions energy: -386.912
where: short stacking energy: -180.396
Base-Backbone interact. energy: -2.503
local terms energy: -264.960991
where:
bonds (distance) C4'-P energy: -71.222
bonds (distance) P-C4' energy: -74.629
flat angles C4'-P-C4' energy: -64.441
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: -16.547
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -406.145765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.145765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.145765 (E_RNA)
where:
Base-Base interactions energy: -183.097
where: short stacking energy: -121.637
Base-Backbone interact. energy: -1.854
local terms energy: -221.195350
where:
bonds (distance) C4'-P energy: -50.590
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -59.570
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -2.646
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: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -361.638717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.638717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.638717 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -93.213
Base-Backbone interact. energy: 1.542
local terms energy: -230.860344
where:
bonds (distance) C4'-P energy: -59.195
bonds (distance) P-C4' energy: -78.706
flat angles C4'-P-C4' energy: -53.254
flat angles P-C4'-P energy: -40.797
tors. eta vs tors. theta energy: 1.092
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: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1434.169724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.169724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.169724 (E_RNA)
where:
Base-Base interactions energy: -983.091
where: short stacking energy: -406.129
Base-Backbone interact. energy: -1.750
local terms energy: -449.328285
where:
bonds (distance) C4'-P energy: -79.818
bonds (distance) P-C4' energy: -76.541
flat angles C4'-P-C4' energy: -99.009
flat angles P-C4'-P energy: -67.101
tors. eta vs tors. theta energy: -126.858
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: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1343.560821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.560821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.560821 (E_RNA)
where:
Base-Base interactions energy: -926.281
where: short stacking energy: -370.714
Base-Backbone interact. energy: -1.166
local terms energy: -416.114034
where:
bonds (distance) C4'-P energy: -73.805
bonds (distance) P-C4' energy: -80.699
flat angles C4'-P-C4' energy: -83.597
flat angles P-C4'-P energy: -63.214
tors. eta vs tors. theta energy: -114.799
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: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1296.265623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.265623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.265623 (E_RNA)
where:
Base-Base interactions energy: -909.966
where: short stacking energy: -388.512
Base-Backbone interact. energy: 2.992
local terms energy: -389.291689
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -71.954
flat angles C4'-P-C4' energy: -86.624
flat angles P-C4'-P energy: -54.890
tors. eta vs tors. theta energy: -110.575
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: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1242.328819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.328819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.328819 (E_RNA)
where:
Base-Base interactions energy: -833.965
where: short stacking energy: -365.260
Base-Backbone interact. energy: -0.778
local terms energy: -407.586351
where:
bonds (distance) C4'-P energy: -78.401
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -83.471
flat angles P-C4'-P energy: -55.958
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: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1158.167441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.167441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.167441 (E_RNA)
where:
Base-Base interactions energy: -772.805
where: short stacking energy: -331.166
Base-Backbone interact. energy: 0.130
local terms energy: -385.492211
where:
bonds (distance) C4'-P energy: -72.516
bonds (distance) P-C4' energy: -72.238
flat angles C4'-P-C4' energy: -80.964
flat angles P-C4'-P energy: -61.498
tors. eta vs tors. theta energy: -98.277
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: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1088.677794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.677794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.677794 (E_RNA)
where:
Base-Base interactions energy: -724.802
where: short stacking energy: -315.933
Base-Backbone interact. energy: -0.559
local terms energy: -363.316714
where:
bonds (distance) C4'-P energy: -59.906
bonds (distance) P-C4' energy: -68.674
flat angles C4'-P-C4' energy: -80.479
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -99.834
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: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -765.445594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.445594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.445594 (E_RNA)
where:
Base-Base interactions energy: -467.892
where: short stacking energy: -219.627
Base-Backbone interact. energy: 4.177
local terms energy: -301.730034
where:
bonds (distance) C4'-P energy: -67.377
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -73.297
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -52.745
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: 376
Temperature: 1.250000
Total energy: -747.448990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.448990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.448990 (E_RNA)
where:
Base-Base interactions energy: -444.567
where: short stacking energy: -195.657
Base-Backbone interact. energy: 0.010
local terms energy: -302.891215
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -73.564
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -60.764
tors. eta vs tors. theta energy: -36.442
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: 376
Temperature: 1.300000
Total energy: -450.921234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.921234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.921234 (E_RNA)
where:
Base-Base interactions energy: -221.093
where: short stacking energy: -138.153
Base-Backbone interact. energy: -0.098
local terms energy: -229.730335
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -62.168
flat angles P-C4'-P energy: -29.408
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: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -344.376671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.376671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.376671 (E_RNA)
where:
Base-Base interactions energy: -132.660
where: short stacking energy: -60.427
Base-Backbone interact. energy: -3.719
local terms energy: -207.998045
where:
bonds (distance) C4'-P energy: -64.511
bonds (distance) P-C4' energy: -78.803
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -42.545
tors. eta vs tors. theta energy: 28.107
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: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1418.230195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.230195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.230195 (E_RNA)
where:
Base-Base interactions energy: -983.388
where: short stacking energy: -410.216
Base-Backbone interact. energy: -1.177
local terms energy: -433.665244
where:
bonds (distance) C4'-P energy: -78.135
bonds (distance) P-C4' energy: -78.877
flat angles C4'-P-C4' energy: -89.744
flat angles P-C4'-P energy: -57.810
tors. eta vs tors. theta energy: -129.100
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: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1348.395054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.395054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.395054 (E_RNA)
where:
Base-Base interactions energy: -920.559
where: short stacking energy: -375.041
Base-Backbone interact. energy: -1.731
local terms energy: -426.104808
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -80.699
flat angles C4'-P-C4' energy: -91.722
flat angles P-C4'-P energy: -63.745
tors. eta vs tors. theta energy: -108.028
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: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1287.552661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.552661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.552661 (E_RNA)
where:
Base-Base interactions energy: -888.789
where: short stacking energy: -367.590
Base-Backbone interact. energy: -0.711
local terms energy: -398.052255
where:
bonds (distance) C4'-P energy: -72.906
bonds (distance) P-C4' energy: -85.645
flat angles C4'-P-C4' energy: -83.163
flat angles P-C4'-P energy: -53.907
tors. eta vs tors. theta energy: -102.432
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: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1225.533558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.533558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.533558 (E_RNA)
where:
Base-Base interactions energy: -841.513
where: short stacking energy: -351.972
Base-Backbone interact. energy: -1.793
local terms energy: -382.227634
where:
bonds (distance) C4'-P energy: -63.521
bonds (distance) P-C4' energy: -77.557
flat angles C4'-P-C4' energy: -88.418
flat angles P-C4'-P energy: -52.830
tors. eta vs tors. theta energy: -99.903
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1151.274932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.274932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.274932 (E_RNA)
where:
Base-Base interactions energy: -773.054
where: short stacking energy: -305.867
Base-Backbone interact. energy: -0.011
local terms energy: -378.209980
where:
bonds (distance) C4'-P energy: -73.014
bonds (distance) P-C4' energy: -71.482
flat angles C4'-P-C4' energy: -90.001
flat angles P-C4'-P energy: -53.936
tors. eta vs tors. theta energy: -89.777
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: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1140.347451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.347451 (E_RNA)
where:
Base-Base interactions energy: -812.892
where: short stacking energy: -315.979
Base-Backbone interact. energy: -0.104
local terms energy: -327.351109
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -60.374
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -90.165
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: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -746.724898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.724898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.724898 (E_RNA)
where:
Base-Base interactions energy: -436.956
where: short stacking energy: -225.944
Base-Backbone interact. energy: -2.102
local terms energy: -307.667335
where:
bonds (distance) C4'-P energy: -62.815
bonds (distance) P-C4' energy: -77.376
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -49.724
tors. eta vs tors. theta energy: -54.245
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -779.445939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.445939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.445939 (E_RNA)
where:
Base-Base interactions energy: -448.661
where: short stacking energy: -215.806
Base-Backbone interact. energy: -0.581
local terms energy: -330.204366
where:
bonds (distance) C4'-P energy: -73.754
bonds (distance) P-C4' energy: -74.509
flat angles C4'-P-C4' energy: -73.185
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -62.870
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: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -406.919347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.919347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.919347 (E_RNA)
where:
Base-Base interactions energy: -181.819
where: short stacking energy: -112.765
Base-Backbone interact. energy: 1.849
local terms energy: -226.949647
where:
bonds (distance) C4'-P energy: -59.808
bonds (distance) P-C4' energy: -68.021
flat angles C4'-P-C4' energy: -58.709
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -9.070
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: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -388.301884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.301884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.301884 (E_RNA)
where:
Base-Base interactions energy: -164.976
where: short stacking energy: -92.762
Base-Backbone interact. energy: 1.586
local terms energy: -224.912008
where:
bonds (distance) C4'-P energy: -62.423
bonds (distance) P-C4' energy: -71.438
flat angles C4'-P-C4' energy: -62.122
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: 3.946
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: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1428.858418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.858418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.858418 (E_RNA)
where:
Base-Base interactions energy: -979.972
where: short stacking energy: -403.096
Base-Backbone interact. energy: -2.092
local terms energy: -446.794150
where:
bonds (distance) C4'-P energy: -82.577
bonds (distance) P-C4' energy: -82.484
flat angles C4'-P-C4' energy: -92.677
flat angles P-C4'-P energy: -63.837
tors. eta vs tors. theta energy: -125.219
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: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1362.661340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.661340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.661340 (E_RNA)
where:
Base-Base interactions energy: -951.155
where: short stacking energy: -367.546
Base-Backbone interact. energy: 0.794
local terms energy: -412.299759
where:
bonds (distance) C4'-P energy: -78.192
bonds (distance) P-C4' energy: -74.680
flat angles C4'-P-C4' energy: -90.001
flat angles P-C4'-P energy: -61.025
tors. eta vs tors. theta energy: -108.401
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: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1295.713321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.713321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.713321 (E_RNA)
where:
Base-Base interactions energy: -900.309
where: short stacking energy: -367.833
Base-Backbone interact. energy: 1.298
local terms energy: -396.702148
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -57.195
flat angles C4'-P-C4' energy: -89.230
flat angles P-C4'-P energy: -62.702
tors. eta vs tors. theta energy: -113.023
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1177.395192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.395192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.395192 (E_RNA)
where:
Base-Base interactions energy: -802.964
where: short stacking energy: -348.824
Base-Backbone interact. energy: -1.242
local terms energy: -373.188909
where:
bonds (distance) C4'-P energy: -69.315
bonds (distance) P-C4' energy: -76.533
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -98.173
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: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1127.935606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.935606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.935606 (E_RNA)
where:
Base-Base interactions energy: -768.832
where: short stacking energy: -333.813
Base-Backbone interact. energy: 0.157
local terms energy: -359.260429
where:
bonds (distance) C4'-P energy: -66.761
bonds (distance) P-C4' energy: -88.755
flat angles C4'-P-C4' energy: -75.687
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -88.669
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: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1096.536413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.536413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.536413 (E_RNA)
where:
Base-Base interactions energy: -756.215
where: short stacking energy: -305.628
Base-Backbone interact. energy: -0.375
local terms energy: -339.946762
where:
bonds (distance) C4'-P energy: -71.054
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -79.486
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -81.847
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: 378
Temperature: 1.200000
Total energy: -670.935959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.935959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.935959 (E_RNA)
where:
Base-Base interactions energy: -413.345
where: short stacking energy: -168.515
Base-Backbone interact. energy: -0.920
local terms energy: -256.670192
where:
bonds (distance) C4'-P energy: -73.002
bonds (distance) P-C4' energy: -71.357
flat angles C4'-P-C4' energy: -57.388
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: -25.585
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: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -721.752479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.752479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.752479 (E_RNA)
where:
Base-Base interactions energy: -460.716
where: short stacking energy: -216.873
Base-Backbone interact. energy: 1.285
local terms energy: -262.320794
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -66.832
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -40.734
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: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -439.979205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.979205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.979205 (E_RNA)
where:
Base-Base interactions energy: -204.111
where: short stacking energy: -125.104
Base-Backbone interact. energy: 2.014
local terms energy: -237.882475
where:
bonds (distance) C4'-P energy: -75.018
bonds (distance) P-C4' energy: -72.971
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -25.165
tors. eta vs tors. theta energy: -2.092
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: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -311.044512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.044512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.044512 (E_RNA)
where:
Base-Base interactions energy: -88.504
where: short stacking energy: -62.156
Base-Backbone interact. energy: -1.365
local terms energy: -221.175219
where:
bonds (distance) C4'-P energy: -62.502
bonds (distance) P-C4' energy: -82.452
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -30.779
tors. eta vs tors. theta energy: 7.539
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: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1423.216526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.216526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.216526 (E_RNA)
where:
Base-Base interactions energy: -991.708
where: short stacking energy: -400.437
Base-Backbone interact. energy: -1.852
local terms energy: -429.656296
where:
bonds (distance) C4'-P energy: -81.551
bonds (distance) P-C4' energy: -77.824
flat angles C4'-P-C4' energy: -92.066
flat angles P-C4'-P energy: -57.281
tors. eta vs tors. theta energy: -120.934
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: 379
Temperature: 0.950000
Total energy: -1350.910115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.910115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.910115 (E_RNA)
where:
Base-Base interactions energy: -951.857
where: short stacking energy: -376.131
Base-Backbone interact. energy: -2.359
local terms energy: -396.693384
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -74.769
flat angles C4'-P-C4' energy: -85.657
flat angles P-C4'-P energy: -53.728
tors. eta vs tors. theta energy: -115.521
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: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1298.042388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.042388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.042388 (E_RNA)
where:
Base-Base interactions energy: -878.695
where: short stacking energy: -357.953
Base-Backbone interact. energy: -2.458
local terms energy: -416.889125
where:
bonds (distance) C4'-P energy: -72.755
bonds (distance) P-C4' energy: -79.310
flat angles C4'-P-C4' energy: -95.140
flat angles P-C4'-P energy: -56.034
tors. eta vs tors. theta energy: -113.650
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: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1224.719027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.719027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.719027 (E_RNA)
where:
Base-Base interactions energy: -819.875
where: short stacking energy: -351.456
Base-Backbone interact. energy: -0.345
local terms energy: -404.499059
where:
bonds (distance) C4'-P energy: -75.556
bonds (distance) P-C4' energy: -77.640
flat angles C4'-P-C4' energy: -76.388
flat angles P-C4'-P energy: -62.990
tors. eta vs tors. theta energy: -111.925
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: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1197.129734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.129734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.129734 (E_RNA)
where:
Base-Base interactions energy: -811.561
where: short stacking energy: -349.011
Base-Backbone interact. energy: -1.364
local terms energy: -384.204305
where:
bonds (distance) C4'-P energy: -64.820
bonds (distance) P-C4' energy: -71.377
flat angles C4'-P-C4' energy: -81.834
flat angles P-C4'-P energy: -54.514
tors. eta vs tors. theta energy: -111.658
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1055.676865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.676865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.676865 (E_RNA)
where:
Base-Base interactions energy: -711.342
where: short stacking energy: -307.993
Base-Backbone interact. energy: -1.794
local terms energy: -342.541009
where:
bonds (distance) C4'-P energy: -71.802
bonds (distance) P-C4' energy: -48.098
flat angles C4'-P-C4' energy: -80.183
flat angles P-C4'-P energy: -55.130
tors. eta vs tors. theta energy: -87.329
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: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -687.767784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.767784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.767784 (E_RNA)
where:
Base-Base interactions energy: -404.271
where: short stacking energy: -196.747
Base-Backbone interact. energy: -2.433
local terms energy: -281.063917
where:
bonds (distance) C4'-P energy: -69.709
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -78.899
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -34.884
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: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -647.692976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.692976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.692976 (E_RNA)
where:
Base-Base interactions energy: -373.573
where: short stacking energy: -144.348
Base-Backbone interact. energy: -1.928
local terms energy: -272.191791
where:
bonds (distance) C4'-P energy: -65.853
bonds (distance) P-C4' energy: -78.361
flat angles C4'-P-C4' energy: -63.377
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: -14.037
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: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -431.599463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.599463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.599463 (E_RNA)
where:
Base-Base interactions energy: -181.516
where: short stacking energy: -112.000
Base-Backbone interact. energy: 2.819
local terms energy: -252.902302
where:
bonds (distance) C4'-P energy: -68.241
bonds (distance) P-C4' energy: -65.557
flat angles C4'-P-C4' energy: -61.785
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -10.565
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: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -315.327672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.327672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.327672 (E_RNA)
where:
Base-Base interactions energy: -93.521
where: short stacking energy: -76.321
Base-Backbone interact. energy: 5.284
local terms energy: -227.091556
where:
bonds (distance) C4'-P energy: -61.502
bonds (distance) P-C4' energy: -76.588
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -36.690
tors. eta vs tors. theta energy: 12.977
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: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1411.967899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.967899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.967899 (E_RNA)
where:
Base-Base interactions energy: -971.283
where: short stacking energy: -412.392
Base-Backbone interact. energy: -0.342
local terms energy: -440.342910
where:
bonds (distance) C4'-P energy: -79.477
bonds (distance) P-C4' energy: -79.241
flat angles C4'-P-C4' energy: -89.100
flat angles P-C4'-P energy: -63.184
tors. eta vs tors. theta energy: -129.339
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: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1335.738183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.738183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.738183 (E_RNA)
where:
Base-Base interactions energy: -915.302
where: short stacking energy: -368.789
Base-Backbone interact. energy: -2.350
local terms energy: -418.086263
where:
bonds (distance) C4'-P energy: -78.608
bonds (distance) P-C4' energy: -86.772
flat angles C4'-P-C4' energy: -81.586
flat angles P-C4'-P energy: -60.167
tors. eta vs tors. theta energy: -110.952
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: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1270.504511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.504511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.504511 (E_RNA)
where:
Base-Base interactions energy: -869.594
where: short stacking energy: -346.634
Base-Backbone interact. energy: 1.937
local terms energy: -402.847519
where:
bonds (distance) C4'-P energy: -67.042
bonds (distance) P-C4' energy: -86.848
flat angles C4'-P-C4' energy: -90.981
flat angles P-C4'-P energy: -54.781
tors. eta vs tors. theta energy: -103.195
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: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1230.798039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.798039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.798039 (E_RNA)
where:
Base-Base interactions energy: -831.185
where: short stacking energy: -341.151
Base-Backbone interact. energy: -1.217
local terms energy: -398.396711
where:
bonds (distance) C4'-P energy: -71.017
bonds (distance) P-C4' energy: -66.778
flat angles C4'-P-C4' energy: -88.466
flat angles P-C4'-P energy: -61.378
tors. eta vs tors. theta energy: -110.757
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: 380
Temperature: 1.100000
Total energy: -1179.631547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.631547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.631547 (E_RNA)
where:
Base-Base interactions energy: -836.751
where: short stacking energy: -346.579
Base-Backbone interact. energy: -0.697
local terms energy: -342.183516
where:
bonds (distance) C4'-P energy: -61.852
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -79.697
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -96.820
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: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1059.293507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.293507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.293507 (E_RNA)
where:
Base-Base interactions energy: -719.031
where: short stacking energy: -313.303
Base-Backbone interact. energy: -0.776
local terms energy: -339.486693
where:
bonds (distance) C4'-P energy: -51.810
bonds (distance) P-C4' energy: -73.531
flat angles C4'-P-C4' energy: -77.408
flat angles P-C4'-P energy: -51.402
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: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -729.201664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.201664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.201664 (E_RNA)
where:
Base-Base interactions energy: -443.882
where: short stacking energy: -207.538
Base-Backbone interact. energy: 1.693
local terms energy: -287.012649
where:
bonds (distance) C4'-P energy: -66.417
bonds (distance) P-C4' energy: -76.261
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -46.543
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: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -660.540658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.540658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.540658 (E_RNA)
where:
Base-Base interactions energy: -379.267
where: short stacking energy: -183.705
Base-Backbone interact. energy: -0.988
local terms energy: -280.285384
where:
bonds (distance) C4'-P energy: -62.538
bonds (distance) P-C4' energy: -74.843
flat angles C4'-P-C4' energy: -71.273
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -32.356
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: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -414.545284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.545284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.545284 (E_RNA)
where:
Base-Base interactions energy: -187.202
where: short stacking energy: -120.165
Base-Backbone interact. energy: -1.981
local terms energy: -225.362338
where:
bonds (distance) C4'-P energy: -63.434
bonds (distance) P-C4' energy: -69.505
flat angles C4'-P-C4' energy: -51.869
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -6.442
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: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -364.057118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.057118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.057118 (E_RNA)
where:
Base-Base interactions energy: -154.421
where: short stacking energy: -90.866
Base-Backbone interact. energy: -1.479
local terms energy: -208.157783
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -74.707
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: 9.710
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: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1428.421171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.421171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.421171 (E_RNA)
where:
Base-Base interactions energy: -992.498
where: short stacking energy: -425.679
Base-Backbone interact. energy: -1.203
local terms energy: -434.720427
where:
bonds (distance) C4'-P energy: -78.398
bonds (distance) P-C4' energy: -75.142
flat angles C4'-P-C4' energy: -90.535
flat angles P-C4'-P energy: -59.964
tors. eta vs tors. theta energy: -130.681
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: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1342.512439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.512439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.512439 (E_RNA)
where:
Base-Base interactions energy: -917.981
where: short stacking energy: -369.170
Base-Backbone interact. energy: -0.045
local terms energy: -424.485897
where:
bonds (distance) C4'-P energy: -85.459
bonds (distance) P-C4' energy: -77.839
flat angles C4'-P-C4' energy: -84.405
flat angles P-C4'-P energy: -61.285
tors. eta vs tors. theta energy: -115.498
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: 381
Temperature: 1.000000
Total energy: -1277.209381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.209381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.209381 (E_RNA)
where:
Base-Base interactions energy: -885.291
where: short stacking energy: -363.626
Base-Backbone interact. energy: 0.768
local terms energy: -392.686204
where:
bonds (distance) C4'-P energy: -81.906
bonds (distance) P-C4' energy: -76.706
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -52.936
tors. eta vs tors. theta energy: -100.731
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1228.607447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.607447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.607447 (E_RNA)
where:
Base-Base interactions energy: -851.623
where: short stacking energy: -361.428
Base-Backbone interact. energy: -0.771
local terms energy: -376.213097
where:
bonds (distance) C4'-P energy: -52.504
bonds (distance) P-C4' energy: -82.975
flat angles C4'-P-C4' energy: -79.404
flat angles P-C4'-P energy: -61.546
tors. eta vs tors. theta energy: -99.785
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: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1193.829072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.829072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.829072 (E_RNA)
where:
Base-Base interactions energy: -813.256
where: short stacking energy: -346.496
Base-Backbone interact. energy: -2.151
local terms energy: -378.422000
where:
bonds (distance) C4'-P energy: -71.563
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -77.493
flat angles P-C4'-P energy: -54.434
tors. eta vs tors. theta energy: -111.694
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: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1047.467150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.467150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.467150 (E_RNA)
where:
Base-Base interactions energy: -705.934
where: short stacking energy: -283.544
Base-Backbone interact. energy: 1.881
local terms energy: -343.413310
where:
bonds (distance) C4'-P energy: -65.581
bonds (distance) P-C4' energy: -67.748
flat angles C4'-P-C4' energy: -83.573
flat angles P-C4'-P energy: -51.859
tors. eta vs tors. theta energy: -74.653
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: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -756.486545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.486545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.486545 (E_RNA)
where:
Base-Base interactions energy: -454.208
where: short stacking energy: -198.326
Base-Backbone interact. energy: -1.549
local terms energy: -300.729036
where:
bonds (distance) C4'-P energy: -66.850
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -75.130
flat angles P-C4'-P energy: -51.032
tors. eta vs tors. theta energy: -39.132
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: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -607.274277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.274277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.274277 (E_RNA)
where:
Base-Base interactions energy: -341.934
where: short stacking energy: -159.970
Base-Backbone interact. energy: 1.511
local terms energy: -266.850866
where:
bonds (distance) C4'-P energy: -60.307
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -79.464
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -27.185
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: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -374.668532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.668532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.668532 (E_RNA)
where:
Base-Base interactions energy: -162.800
where: short stacking energy: -126.603
Base-Backbone interact. energy: -0.972
local terms energy: -210.896986
where:
bonds (distance) C4'-P energy: -64.865
bonds (distance) P-C4' energy: -66.629
flat angles C4'-P-C4' energy: -49.746
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -4.858
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: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -382.137571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.137571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.137571 (E_RNA)
where:
Base-Base interactions energy: -170.249
where: short stacking energy: -108.988
Base-Backbone interact. energy: -0.501
local terms energy: -211.387627
where:
bonds (distance) C4'-P energy: -78.200
bonds (distance) P-C4' energy: -53.029
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -23.535
tors. eta vs tors. theta energy: -1.121
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: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1416.020240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.020240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.020240 (E_RNA)
where:
Base-Base interactions energy: -981.727
where: short stacking energy: -399.944
Base-Backbone interact. energy: -1.432
local terms energy: -432.861529
where:
bonds (distance) C4'-P energy: -66.371
bonds (distance) P-C4' energy: -79.216
flat angles C4'-P-C4' energy: -97.718
flat angles P-C4'-P energy: -65.724
tors. eta vs tors. theta energy: -123.833
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: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1333.882359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.882359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.882359 (E_RNA)
where:
Base-Base interactions energy: -927.708
where: short stacking energy: -371.579
Base-Backbone interact. energy: -1.795
local terms energy: -404.379018
where:
bonds (distance) C4'-P energy: -77.751
bonds (distance) P-C4' energy: -75.186
flat angles C4'-P-C4' energy: -81.294
flat angles P-C4'-P energy: -52.870
tors. eta vs tors. theta energy: -117.278
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: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1253.991199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.991199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.991199 (E_RNA)
where:
Base-Base interactions energy: -848.998
where: short stacking energy: -363.194
Base-Backbone interact. energy: -1.387
local terms energy: -403.606649
where:
bonds (distance) C4'-P energy: -74.153
bonds (distance) P-C4' energy: -75.746
flat angles C4'-P-C4' energy: -91.881
flat angles P-C4'-P energy: -57.631
tors. eta vs tors. theta energy: -104.195
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: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1262.574108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.574108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.574108 (E_RNA)
where:
Base-Base interactions energy: -881.672
where: short stacking energy: -359.180
Base-Backbone interact. energy: 0.565
local terms energy: -381.467005
where:
bonds (distance) C4'-P energy: -67.730
bonds (distance) P-C4' energy: -75.067
flat angles C4'-P-C4' energy: -84.667
flat angles P-C4'-P energy: -54.389
tors. eta vs tors. theta energy: -99.614
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: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1202.954997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.954997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.954997 (E_RNA)
where:
Base-Base interactions energy: -813.443
where: short stacking energy: -352.530
Base-Backbone interact. energy: 1.396
local terms energy: -390.908066
where:
bonds (distance) C4'-P energy: -71.212
bonds (distance) P-C4' energy: -72.085
flat angles C4'-P-C4' energy: -76.491
flat angles P-C4'-P energy: -52.621
tors. eta vs tors. theta energy: -118.499
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: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1086.664514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.664514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.664514 (E_RNA)
where:
Base-Base interactions energy: -735.315
where: short stacking energy: -308.875
Base-Backbone interact. energy: -1.745
local terms energy: -349.604866
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -72.728
flat angles C4'-P-C4' energy: -73.281
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -90.580
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: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -742.788530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.788530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.788530 (E_RNA)
where:
Base-Base interactions energy: -476.004
where: short stacking energy: -226.882
Base-Backbone interact. energy: 0.745
local terms energy: -267.529599
where:
bonds (distance) C4'-P energy: -42.283
bonds (distance) P-C4' energy: -67.269
flat angles C4'-P-C4' energy: -67.678
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -52.530
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: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -621.460706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.460706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.460706 (E_RNA)
where:
Base-Base interactions energy: -342.303
where: short stacking energy: -159.473
Base-Backbone interact. energy: 1.556
local terms energy: -280.713794
where:
bonds (distance) C4'-P energy: -64.749
bonds (distance) P-C4' energy: -76.906
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -38.352
tors. eta vs tors. theta energy: -33.227
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: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -352.052339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.052339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.052339 (E_RNA)
where:
Base-Base interactions energy: -108.488
where: short stacking energy: -94.377
Base-Backbone interact. energy: 7.982
local terms energy: -251.546205
where:
bonds (distance) C4'-P energy: -90.944
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -4.042
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: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -383.899664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.899664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.899664 (E_RNA)
where:
Base-Base interactions energy: -174.762
where: short stacking energy: -98.766
Base-Backbone interact. energy: -1.957
local terms energy: -207.180500
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -82.214
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -32.510
tors. eta vs tors. theta energy: 2.094
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: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1422.202913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.202913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.202913 (E_RNA)
where:
Base-Base interactions energy: -980.531
where: short stacking energy: -406.108
Base-Backbone interact. energy: 0.599
local terms energy: -442.270553
where:
bonds (distance) C4'-P energy: -82.693
bonds (distance) P-C4' energy: -79.584
flat angles C4'-P-C4' energy: -88.823
flat angles P-C4'-P energy: -62.008
tors. eta vs tors. theta energy: -129.164
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: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1346.347130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.347130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.347130 (E_RNA)
where:
Base-Base interactions energy: -906.036
where: short stacking energy: -383.440
Base-Backbone interact. energy: -1.668
local terms energy: -438.643144
where:
bonds (distance) C4'-P energy: -80.644
bonds (distance) P-C4' energy: -82.506
flat angles C4'-P-C4' energy: -89.674
flat angles P-C4'-P energy: -67.395
tors. eta vs tors. theta energy: -118.424
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: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1276.531621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.531621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.531621 (E_RNA)
where:
Base-Base interactions energy: -871.433
where: short stacking energy: -384.365
Base-Backbone interact. energy: -1.157
local terms energy: -403.941610
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -75.482
flat angles C4'-P-C4' energy: -85.360
flat angles P-C4'-P energy: -66.520
tors. eta vs tors. theta energy: -108.613
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: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1272.079845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.079845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.079845 (E_RNA)
where:
Base-Base interactions energy: -869.644
where: short stacking energy: -363.767
Base-Backbone interact. energy: -1.095
local terms energy: -401.341035
where:
bonds (distance) C4'-P energy: -69.882
bonds (distance) P-C4' energy: -77.050
flat angles C4'-P-C4' energy: -80.560
flat angles P-C4'-P energy: -60.030
tors. eta vs tors. theta energy: -113.819
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: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1183.146591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.146591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.146591 (E_RNA)
where:
Base-Base interactions energy: -812.884
where: short stacking energy: -344.465
Base-Backbone interact. energy: 1.045
local terms energy: -371.307109
where:
bonds (distance) C4'-P energy: -65.810
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -79.534
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -104.874
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: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1129.582520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.582520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.582520 (E_RNA)
where:
Base-Base interactions energy: -754.269
where: short stacking energy: -317.104
Base-Backbone interact. energy: 1.944
local terms energy: -377.258062
where:
bonds (distance) C4'-P energy: -73.433
bonds (distance) P-C4' energy: -68.248
flat angles C4'-P-C4' energy: -89.101
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -89.618
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: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -694.970407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.970407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.970407 (E_RNA)
where:
Base-Base interactions energy: -410.486
where: short stacking energy: -166.156
Base-Backbone interact. energy: 3.052
local terms energy: -287.537271
where:
bonds (distance) C4'-P energy: -69.760
bonds (distance) P-C4' energy: -72.028
flat angles C4'-P-C4' energy: -75.340
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -34.365
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: 383
Temperature: 1.250000
Total energy: -654.753948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.753948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.753948 (E_RNA)
where:
Base-Base interactions energy: -360.893
where: short stacking energy: -194.200
Base-Backbone interact. energy: 0.619
local terms energy: -294.479779
where:
bonds (distance) C4'-P energy: -65.536
bonds (distance) P-C4' energy: -70.684
flat angles C4'-P-C4' energy: -70.926
flat angles P-C4'-P energy: -49.941
tors. eta vs tors. theta energy: -37.392
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: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -346.774130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.774130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.774130 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -91.307
Base-Backbone interact. energy: -0.935
local terms energy: -224.415199
where:
bonds (distance) C4'-P energy: -75.736
bonds (distance) P-C4' energy: -65.922
flat angles C4'-P-C4' energy: -53.415
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: 5.723
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: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -300.556688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.556688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.556688 (E_RNA)
where:
Base-Base interactions energy: -93.019
where: short stacking energy: -90.193
Base-Backbone interact. energy: -1.111
local terms energy: -206.426650
where:
bonds (distance) C4'-P energy: -58.057
bonds (distance) P-C4' energy: -72.449
flat angles C4'-P-C4' energy: -54.176
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: 4.397
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: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1432.808733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.808733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.808733 (E_RNA)
where:
Base-Base interactions energy: -987.898
where: short stacking energy: -404.267
Base-Backbone interact. energy: -1.832
local terms energy: -443.079061
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -75.078
flat angles C4'-P-C4' energy: -97.320
flat angles P-C4'-P energy: -56.846
tors. eta vs tors. theta energy: -128.655
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: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1339.076447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.076447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.076447 (E_RNA)
where:
Base-Base interactions energy: -904.858
where: short stacking energy: -374.838
Base-Backbone interact. energy: -1.248
local terms energy: -432.971069
where:
bonds (distance) C4'-P energy: -81.623
bonds (distance) P-C4' energy: -84.584
flat angles C4'-P-C4' energy: -94.776
flat angles P-C4'-P energy: -58.613
tors. eta vs tors. theta energy: -113.375
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: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1309.772787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.772787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.772787 (E_RNA)
where:
Base-Base interactions energy: -914.171
where: short stacking energy: -379.551
Base-Backbone interact. energy: -1.697
local terms energy: -393.903963
where:
bonds (distance) C4'-P energy: -71.987
bonds (distance) P-C4' energy: -88.555
flat angles C4'-P-C4' energy: -83.593
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -103.614
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: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1281.488388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.488388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.488388 (E_RNA)
where:
Base-Base interactions energy: -883.557
where: short stacking energy: -373.124
Base-Backbone interact. energy: -1.557
local terms energy: -396.373966
where:
bonds (distance) C4'-P energy: -65.952
bonds (distance) P-C4' energy: -86.697
flat angles C4'-P-C4' energy: -89.716
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -104.420
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: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1171.728956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.728956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.728956 (E_RNA)
where:
Base-Base interactions energy: -771.308
where: short stacking energy: -347.137
Base-Backbone interact. energy: -1.032
local terms energy: -399.388868
where:
bonds (distance) C4'-P energy: -71.746
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -87.958
flat angles P-C4'-P energy: -58.766
tors. eta vs tors. theta energy: -107.321
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: 384
Temperature: 1.150000
Total energy: -1124.081552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.081552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.081552 (E_RNA)
where:
Base-Base interactions energy: -787.175
where: short stacking energy: -346.847
Base-Backbone interact. energy: -1.659
local terms energy: -335.247798
where:
bonds (distance) C4'-P energy: -62.334
bonds (distance) P-C4' energy: -59.242
flat angles C4'-P-C4' energy: -81.039
flat angles P-C4'-P energy: -42.161
tors. eta vs tors. theta energy: -90.471
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: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -735.019206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.019206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.019206 (E_RNA)
where:
Base-Base interactions energy: -454.507
where: short stacking energy: -192.840
Base-Backbone interact. energy: -1.559
local terms energy: -278.953450
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -92.245
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -30.843
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -672.297852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.297852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.297852 (E_RNA)
where:
Base-Base interactions energy: -387.389
where: short stacking energy: -194.545
Base-Backbone interact. energy: -1.751
local terms energy: -283.157283
where:
bonds (distance) C4'-P energy: -67.279
bonds (distance) P-C4' energy: -71.157
flat angles C4'-P-C4' energy: -77.528
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -33.375
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: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -365.805185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.805185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.805185 (E_RNA)
where:
Base-Base interactions energy: -144.650
where: short stacking energy: -108.321
Base-Backbone interact. energy: 2.400
local terms energy: -223.555172
where:
bonds (distance) C4'-P energy: -62.984
bonds (distance) P-C4' energy: -83.036
flat angles C4'-P-C4' energy: -47.534
flat angles P-C4'-P energy: -30.564
tors. eta vs tors. theta energy: 0.563
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: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -325.878174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.878174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.878174 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -97.305
Base-Backbone interact. energy: 2.601
local terms energy: -208.827153
where:
bonds (distance) C4'-P energy: -74.791
bonds (distance) P-C4' energy: -73.654
flat angles C4'-P-C4' energy: -54.781
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: 18.483
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: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1427.076502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.076502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.076502 (E_RNA)
where:
Base-Base interactions energy: -985.193
where: short stacking energy: -413.961
Base-Backbone interact. energy: 1.680
local terms energy: -443.564153
where:
bonds (distance) C4'-P energy: -76.749
bonds (distance) P-C4' energy: -71.934
flat angles C4'-P-C4' energy: -96.441
flat angles P-C4'-P energy: -63.273
tors. eta vs tors. theta energy: -135.168
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: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1336.961199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.961199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.961199 (E_RNA)
where:
Base-Base interactions energy: -923.035
where: short stacking energy: -378.299
Base-Backbone interact. energy: -1.709
local terms energy: -412.217178
where:
bonds (distance) C4'-P energy: -66.740
bonds (distance) P-C4' energy: -82.386
flat angles C4'-P-C4' energy: -86.966
flat angles P-C4'-P energy: -55.862
tors. eta vs tors. theta energy: -120.264
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: 385
Temperature: 1.000000
Total energy: -1304.149960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.149960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.149960 (E_RNA)
where:
Base-Base interactions energy: -902.448
where: short stacking energy: -341.393
Base-Backbone interact. energy: -1.778
local terms energy: -399.924351
where:
bonds (distance) C4'-P energy: -82.325
bonds (distance) P-C4' energy: -70.586
flat angles C4'-P-C4' energy: -77.830
flat angles P-C4'-P energy: -57.104
tors. eta vs tors. theta energy: -112.080
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: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1269.524352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.524352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.524352 (E_RNA)
where:
Base-Base interactions energy: -870.263
where: short stacking energy: -361.964
Base-Backbone interact. energy: -1.357
local terms energy: -397.904726
where:
bonds (distance) C4'-P energy: -63.462
bonds (distance) P-C4' energy: -78.635
flat angles C4'-P-C4' energy: -85.963
flat angles P-C4'-P energy: -57.530
tors. eta vs tors. theta energy: -112.316
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: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1205.457045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.457045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.457045 (E_RNA)
where:
Base-Base interactions energy: -812.598
where: short stacking energy: -349.645
Base-Backbone interact. energy: -1.778
local terms energy: -391.080993
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -78.660
flat angles C4'-P-C4' energy: -82.476
flat angles P-C4'-P energy: -54.184
tors. eta vs tors. theta energy: -105.935
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: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1085.318967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.318967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.318967 (E_RNA)
where:
Base-Base interactions energy: -714.659
where: short stacking energy: -314.881
Base-Backbone interact. energy: -0.322
local terms energy: -370.337549
where:
bonds (distance) C4'-P energy: -72.291
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -71.723
flat angles P-C4'-P energy: -58.545
tors. eta vs tors. theta energy: -100.232
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: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -708.542387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.542387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.542387 (E_RNA)
where:
Base-Base interactions energy: -418.990
where: short stacking energy: -203.969
Base-Backbone interact. energy: -1.236
local terms energy: -288.316078
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -75.560
flat angles C4'-P-C4' energy: -77.926
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -32.416
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: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -672.185001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.185001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.185001 (E_RNA)
where:
Base-Base interactions energy: -381.474
where: short stacking energy: -187.147
Base-Backbone interact. energy: 2.066
local terms energy: -292.776339
where:
bonds (distance) C4'-P energy: -63.791
bonds (distance) P-C4' energy: -79.176
flat angles C4'-P-C4' energy: -61.726
flat angles P-C4'-P energy: -45.001
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: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -379.599921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.599921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.599921 (E_RNA)
where:
Base-Base interactions energy: -130.991
where: short stacking energy: -97.716
Base-Backbone interact. energy: -1.902
local terms energy: -246.706916
where:
bonds (distance) C4'-P energy: -64.900
bonds (distance) P-C4' energy: -73.703
flat angles C4'-P-C4' energy: -66.265
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -0.346
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: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -318.381738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.381738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.381738 (E_RNA)
where:
Base-Base interactions energy: -140.208
where: short stacking energy: -81.245
Base-Backbone interact. energy: -2.031
local terms energy: -176.141968
where:
bonds (distance) C4'-P energy: -56.200
bonds (distance) P-C4' energy: -67.295
flat angles C4'-P-C4' energy: -49.710
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: 16.990
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: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1422.487475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.487475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.487475 (E_RNA)
where:
Base-Base interactions energy: -983.945
where: short stacking energy: -397.111
Base-Backbone interact. energy: 0.705
local terms energy: -439.246994
where:
bonds (distance) C4'-P energy: -78.021
bonds (distance) P-C4' energy: -87.456
flat angles C4'-P-C4' energy: -90.891
flat angles P-C4'-P energy: -55.455
tors. eta vs tors. theta energy: -127.425
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: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1325.548422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.548422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.548422 (E_RNA)
where:
Base-Base interactions energy: -922.450
where: short stacking energy: -386.446
Base-Backbone interact. energy: 0.057
local terms energy: -403.155186
where:
bonds (distance) C4'-P energy: -79.895
bonds (distance) P-C4' energy: -74.096
flat angles C4'-P-C4' energy: -84.673
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -112.919
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: 386
Temperature: 1.000000
Total energy: -1301.217261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.217261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.217261 (E_RNA)
where:
Base-Base interactions energy: -880.399
where: short stacking energy: -363.256
Base-Backbone interact. energy: -1.880
local terms energy: -418.938235
where:
bonds (distance) C4'-P energy: -81.838
bonds (distance) P-C4' energy: -85.685
flat angles C4'-P-C4' energy: -85.417
flat angles P-C4'-P energy: -60.360
tors. eta vs tors. theta energy: -105.638
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: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1225.874558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.874558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.874558 (E_RNA)
where:
Base-Base interactions energy: -846.702
where: short stacking energy: -345.378
Base-Backbone interact. energy: -2.998
local terms energy: -376.173695
where:
bonds (distance) C4'-P energy: -70.850
bonds (distance) P-C4' energy: -59.337
flat angles C4'-P-C4' energy: -84.214
flat angles P-C4'-P energy: -50.706
tors. eta vs tors. theta energy: -111.067
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: 386
Temperature: 1.100000
Total energy: -1201.803789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.803789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.803789 (E_RNA)
where:
Base-Base interactions energy: -798.760
where: short stacking energy: -331.625
Base-Backbone interact. energy: -0.950
local terms energy: -402.093571
where:
bonds (distance) C4'-P energy: -75.148
bonds (distance) P-C4' energy: -78.469
flat angles C4'-P-C4' energy: -87.242
flat angles P-C4'-P energy: -56.602
tors. eta vs tors. theta energy: -104.633
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: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1081.237887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.237887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.237887 (E_RNA)
where:
Base-Base interactions energy: -731.060
where: short stacking energy: -321.414
Base-Backbone interact. energy: 1.209
local terms energy: -351.387332
where:
bonds (distance) C4'-P energy: -59.359
bonds (distance) P-C4' energy: -79.105
flat angles C4'-P-C4' energy: -75.782
flat angles P-C4'-P energy: -45.519
tors. eta vs tors. theta energy: -91.623
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: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -709.644988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.644988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.644988 (E_RNA)
where:
Base-Base interactions energy: -416.541
where: short stacking energy: -204.270
Base-Backbone interact. energy: 1.966
local terms energy: -295.069869
where:
bonds (distance) C4'-P energy: -56.630
bonds (distance) P-C4' energy: -74.677
flat angles C4'-P-C4' energy: -67.180
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -52.846
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: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -625.547221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.547221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.547221 (E_RNA)
where:
Base-Base interactions energy: -372.015
where: short stacking energy: -211.990
Base-Backbone interact. energy: 1.524
local terms energy: -255.057123
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -73.820
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -33.771
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -405.066721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.066721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.066721 (E_RNA)
where:
Base-Base interactions energy: -195.044
where: short stacking energy: -127.930
Base-Backbone interact. energy: -1.407
local terms energy: -208.615815
where:
bonds (distance) C4'-P energy: -69.587
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -48.847
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: 14.544
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: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -328.608279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.608279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.608279 (E_RNA)
where:
Base-Base interactions energy: -131.894
where: short stacking energy: -105.934
Base-Backbone interact. energy: -1.133
local terms energy: -195.581261
where:
bonds (distance) C4'-P energy: -57.137
bonds (distance) P-C4' energy: -69.106
flat angles C4'-P-C4' energy: -50.761
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: 8.956
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: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1418.423431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.423431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.423431 (E_RNA)
where:
Base-Base interactions energy: -970.073
where: short stacking energy: -390.610
Base-Backbone interact. energy: -0.560
local terms energy: -447.790232
where:
bonds (distance) C4'-P energy: -84.611
bonds (distance) P-C4' energy: -76.043
flat angles C4'-P-C4' energy: -94.062
flat angles P-C4'-P energy: -59.688
tors. eta vs tors. theta energy: -133.385
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: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1365.023855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.023855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.023855 (E_RNA)
where:
Base-Base interactions energy: -954.686
where: short stacking energy: -403.811
Base-Backbone interact. energy: -1.903
local terms energy: -408.434830
where:
bonds (distance) C4'-P energy: -72.186
bonds (distance) P-C4' energy: -74.932
flat angles C4'-P-C4' energy: -75.274
flat angles P-C4'-P energy: -61.457
tors. eta vs tors. theta energy: -124.586
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: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1309.830313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.830313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.830313 (E_RNA)
where:
Base-Base interactions energy: -887.402
where: short stacking energy: -372.086
Base-Backbone interact. energy: -1.981
local terms energy: -420.447022
where:
bonds (distance) C4'-P energy: -78.781
bonds (distance) P-C4' energy: -87.610
flat angles C4'-P-C4' energy: -87.681
flat angles P-C4'-P energy: -54.511
tors. eta vs tors. theta energy: -111.864
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: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1250.280572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.280572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.280572 (E_RNA)
where:
Base-Base interactions energy: -850.175
where: short stacking energy: -346.310
Base-Backbone interact. energy: -1.765
local terms energy: -398.340141
where:
bonds (distance) C4'-P energy: -74.400
bonds (distance) P-C4' energy: -79.713
flat angles C4'-P-C4' energy: -80.432
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -105.555
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: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1174.310638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.310638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.310638 (E_RNA)
where:
Base-Base interactions energy: -803.409
where: short stacking energy: -334.820
Base-Backbone interact. energy: -3.391
local terms energy: -367.509888
where:
bonds (distance) C4'-P energy: -61.876
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -74.995
flat angles P-C4'-P energy: -58.948
tors. eta vs tors. theta energy: -106.745
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: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1014.883001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.883001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.883001 (E_RNA)
where:
Base-Base interactions energy: -677.631
where: short stacking energy: -280.954
Base-Backbone interact. energy: -2.961
local terms energy: -334.291644
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -69.043
flat angles C4'-P-C4' energy: -70.996
flat angles P-C4'-P energy: -51.072
tors. eta vs tors. theta energy: -92.753
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: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -773.054137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.054137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.054137 (E_RNA)
where:
Base-Base interactions energy: -488.294
where: short stacking energy: -210.052
Base-Backbone interact. energy: -1.499
local terms energy: -283.261829
where:
bonds (distance) C4'-P energy: -53.250
bonds (distance) P-C4' energy: -75.749
flat angles C4'-P-C4' energy: -72.447
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -46.930
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: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -647.527787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.527787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.527787 (E_RNA)
where:
Base-Base interactions energy: -375.628
where: short stacking energy: -174.705
Base-Backbone interact. energy: 4.710
local terms energy: -276.609762
where:
bonds (distance) C4'-P energy: -69.918
bonds (distance) P-C4' energy: -72.053
flat angles C4'-P-C4' energy: -55.038
flat angles P-C4'-P energy: -47.461
tors. eta vs tors. theta energy: -32.141
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: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -356.623916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.623916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.623916 (E_RNA)
where:
Base-Base interactions energy: -132.779
where: short stacking energy: -114.991
Base-Backbone interact. energy: 1.165
local terms energy: -225.009666
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -67.855
flat angles C4'-P-C4' energy: -58.160
flat angles P-C4'-P energy: -29.717
tors. eta vs tors. theta energy: -2.969
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: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -338.916830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.916830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.916830 (E_RNA)
where:
Base-Base interactions energy: -127.590
where: short stacking energy: -77.329
Base-Backbone interact. energy: -1.757
local terms energy: -209.569809
where:
bonds (distance) C4'-P energy: -59.418
bonds (distance) P-C4' energy: -56.365
flat angles C4'-P-C4' energy: -71.365
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: 5.119
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: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1409.856447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.856447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.856447 (E_RNA)
where:
Base-Base interactions energy: -970.583
where: short stacking energy: -406.586
Base-Backbone interact. energy: -1.571
local terms energy: -437.701642
where:
bonds (distance) C4'-P energy: -78.398
bonds (distance) P-C4' energy: -83.384
flat angles C4'-P-C4' energy: -91.378
flat angles P-C4'-P energy: -56.509
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: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1350.724718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.724718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.724718 (E_RNA)
where:
Base-Base interactions energy: -935.762
where: short stacking energy: -376.526
Base-Backbone interact. energy: -3.524
local terms energy: -411.438926
where:
bonds (distance) C4'-P energy: -76.345
bonds (distance) P-C4' energy: -73.497
flat angles C4'-P-C4' energy: -82.279
flat angles P-C4'-P energy: -62.175
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: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1289.524010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.524010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.524010 (E_RNA)
where:
Base-Base interactions energy: -885.041
where: short stacking energy: -353.273
Base-Backbone interact. energy: 1.022
local terms energy: -405.505249
where:
bonds (distance) C4'-P energy: -73.689
bonds (distance) P-C4' energy: -84.722
flat angles C4'-P-C4' energy: -79.705
flat angles P-C4'-P energy: -59.937
tors. eta vs tors. theta energy: -107.452
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: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1223.375836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.375836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.375836 (E_RNA)
where:
Base-Base interactions energy: -830.971
where: short stacking energy: -318.379
Base-Backbone interact. energy: -0.833
local terms energy: -391.571306
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -73.283
flat angles C4'-P-C4' energy: -86.122
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -106.886
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: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1183.326307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.326307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.326307 (E_RNA)
where:
Base-Base interactions energy: -807.090
where: short stacking energy: -355.675
Base-Backbone interact. energy: -1.729
local terms energy: -374.507465
where:
bonds (distance) C4'-P energy: -69.018
bonds (distance) P-C4' energy: -64.035
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -109.512
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: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1030.448150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.448150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.448150 (E_RNA)
where:
Base-Base interactions energy: -687.225
where: short stacking energy: -295.797
Base-Backbone interact. energy: -1.762
local terms energy: -341.461358
where:
bonds (distance) C4'-P energy: -58.255
bonds (distance) P-C4' energy: -74.242
flat angles C4'-P-C4' energy: -73.137
flat angles P-C4'-P energy: -54.544
tors. eta vs tors. theta energy: -81.283
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: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -793.907037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.907037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.907037 (E_RNA)
where:
Base-Base interactions energy: -482.476
where: short stacking energy: -222.952
Base-Backbone interact. energy: 0.771
local terms energy: -312.202234
where:
bonds (distance) C4'-P energy: -70.982
bonds (distance) P-C4' energy: -64.188
flat angles C4'-P-C4' energy: -73.567
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -50.487
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: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -645.958707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.958707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.958707 (E_RNA)
where:
Base-Base interactions energy: -376.387
where: short stacking energy: -182.488
Base-Backbone interact. energy: -1.011
local terms energy: -268.560990
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -59.306
flat angles C4'-P-C4' energy: -72.503
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -36.432
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: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -398.951734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.951734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.951734 (E_RNA)
where:
Base-Base interactions energy: -173.126
where: short stacking energy: -127.989
Base-Backbone interact. energy: -0.870
local terms energy: -224.955527
where:
bonds (distance) C4'-P energy: -60.879
bonds (distance) P-C4' energy: -59.431
flat angles C4'-P-C4' energy: -55.747
flat angles P-C4'-P energy: -39.130
tors. eta vs tors. theta energy: -9.768
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: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -318.208111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.208111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.208111 (E_RNA)
where:
Base-Base interactions energy: -123.799
where: short stacking energy: -88.775
Base-Backbone interact. energy: 0.192
local terms energy: -194.601246
where:
bonds (distance) C4'-P energy: -63.555
bonds (distance) P-C4' energy: -72.981
flat angles C4'-P-C4' energy: -60.530
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: 14.932
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: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1426.515003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.515003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.515003 (E_RNA)
where:
Base-Base interactions energy: -969.720
where: short stacking energy: -413.501
Base-Backbone interact. energy: -0.583
local terms energy: -456.211730
where:
bonds (distance) C4'-P energy: -84.075
bonds (distance) P-C4' energy: -82.487
flat angles C4'-P-C4' energy: -94.592
flat angles P-C4'-P energy: -65.092
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: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1361.474275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.474275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.474275 (E_RNA)
where:
Base-Base interactions energy: -936.256
where: short stacking energy: -388.767
Base-Backbone interact. energy: -1.652
local terms energy: -423.565794
where:
bonds (distance) C4'-P energy: -74.097
bonds (distance) P-C4' energy: -80.360
flat angles C4'-P-C4' energy: -87.503
flat angles P-C4'-P energy: -61.427
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: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1294.005293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.005293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.005293 (E_RNA)
where:
Base-Base interactions energy: -872.920
where: short stacking energy: -360.075
Base-Backbone interact. energy: -3.713
local terms energy: -417.372640
where:
bonds (distance) C4'-P energy: -73.366
bonds (distance) P-C4' energy: -82.376
flat angles C4'-P-C4' energy: -90.708
flat angles P-C4'-P energy: -60.142
tors. eta vs tors. theta energy: -110.781
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: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1223.487803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.487803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.487803 (E_RNA)
where:
Base-Base interactions energy: -855.602
where: short stacking energy: -338.967
Base-Backbone interact. energy: -1.389
local terms energy: -366.497468
where:
bonds (distance) C4'-P energy: -63.843
bonds (distance) P-C4' energy: -74.037
flat angles C4'-P-C4' energy: -76.577
flat angles P-C4'-P energy: -49.784
tors. eta vs tors. theta energy: -102.256
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: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1157.679953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.679953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.679953 (E_RNA)
where:
Base-Base interactions energy: -797.529
where: short stacking energy: -337.478
Base-Backbone interact. energy: -0.943
local terms energy: -359.208199
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -62.590
flat angles C4'-P-C4' energy: -84.689
flat angles P-C4'-P energy: -50.281
tors. eta vs tors. theta energy: -97.073
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: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1072.319592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.319592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.319592 (E_RNA)
where:
Base-Base interactions energy: -701.284
where: short stacking energy: -295.101
Base-Backbone interact. energy: -1.891
local terms energy: -369.144083
where:
bonds (distance) C4'-P energy: -74.064
bonds (distance) P-C4' energy: -71.596
flat angles C4'-P-C4' energy: -84.969
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -89.544
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: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -775.931659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.931659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.931659 (E_RNA)
where:
Base-Base interactions energy: -488.425
where: short stacking energy: -244.759
Base-Backbone interact. energy: -1.204
local terms energy: -286.302365
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -67.319
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -41.386
tors. eta vs tors. theta energy: -60.225
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: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -601.790512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.790512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.790512 (E_RNA)
where:
Base-Base interactions energy: -331.306
where: short stacking energy: -173.257
Base-Backbone interact. energy: -2.367
local terms energy: -268.117599
where:
bonds (distance) C4'-P energy: -61.807
bonds (distance) P-C4' energy: -77.895
flat angles C4'-P-C4' energy: -68.937
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -11.261
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: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -369.558635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.558635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.558635 (E_RNA)
where:
Base-Base interactions energy: -158.572
where: short stacking energy: -105.279
Base-Backbone interact. energy: -1.573
local terms energy: -209.413551
where:
bonds (distance) C4'-P energy: -64.814
bonds (distance) P-C4' energy: -80.113
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -35.549
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: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -360.120793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.120793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.120793 (E_RNA)
where:
Base-Base interactions energy: -116.143
where: short stacking energy: -91.620
Base-Backbone interact. energy: -1.229
local terms energy: -242.748403
where:
bonds (distance) C4'-P energy: -72.742
bonds (distance) P-C4' energy: -72.828
flat angles C4'-P-C4' energy: -47.411
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -9.135
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: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1442.837696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.837696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.837696 (E_RNA)
where:
Base-Base interactions energy: -969.158
where: short stacking energy: -391.244
Base-Backbone interact. energy: -1.894
local terms energy: -471.785774
where:
bonds (distance) C4'-P energy: -82.543
bonds (distance) P-C4' energy: -84.783
flat angles C4'-P-C4' energy: -92.498
flat angles P-C4'-P energy: -72.631
tors. eta vs tors. theta energy: -139.330
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: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1330.862263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.862263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.862263 (E_RNA)
where:
Base-Base interactions energy: -915.204
where: short stacking energy: -393.028
Base-Backbone interact. energy: -1.037
local terms energy: -414.620552
where:
bonds (distance) C4'-P energy: -73.725
bonds (distance) P-C4' energy: -77.466
flat angles C4'-P-C4' energy: -88.003
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -111.795
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: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1321.497959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.497959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.497959 (E_RNA)
where:
Base-Base interactions energy: -912.558
where: short stacking energy: -388.718
Base-Backbone interact. energy: -4.868
local terms energy: -404.072512
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -80.781
flat angles C4'-P-C4' energy: -91.950
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -112.474
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: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1240.778323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.778323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.778323 (E_RNA)
where:
Base-Base interactions energy: -846.853
where: short stacking energy: -355.193
Base-Backbone interact. energy: -1.484
local terms energy: -392.440896
where:
bonds (distance) C4'-P energy: -69.153
bonds (distance) P-C4' energy: -68.482
flat angles C4'-P-C4' energy: -88.245
flat angles P-C4'-P energy: -60.956
tors. eta vs tors. theta energy: -105.605
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: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1184.796885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.796885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.796885 (E_RNA)
where:
Base-Base interactions energy: -816.540
where: short stacking energy: -346.696
Base-Backbone interact. energy: 0.287
local terms energy: -368.544657
where:
bonds (distance) C4'-P energy: -59.255
bonds (distance) P-C4' energy: -68.075
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -104.693
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: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1019.709644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.709644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.709644 (E_RNA)
where:
Base-Base interactions energy: -679.449
where: short stacking energy: -283.682
Base-Backbone interact. energy: -1.957
local terms energy: -338.303900
where:
bonds (distance) C4'-P energy: -67.834
bonds (distance) P-C4' energy: -77.764
flat angles C4'-P-C4' energy: -72.480
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -71.953
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: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -724.173374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.173374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.173374 (E_RNA)
where:
Base-Base interactions energy: -453.752
where: short stacking energy: -202.704
Base-Backbone interact. energy: -1.411
local terms energy: -269.009942
where:
bonds (distance) C4'-P energy: -75.710
bonds (distance) P-C4' energy: -60.521
flat angles C4'-P-C4' energy: -55.382
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -32.489
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: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -596.852602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.852602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.852602 (E_RNA)
where:
Base-Base interactions energy: -344.817
where: short stacking energy: -177.109
Base-Backbone interact. energy: -1.151
local terms energy: -250.884501
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -59.310
flat angles C4'-P-C4' energy: -73.181
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -28.279
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: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -450.160561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.160561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.160561 (E_RNA)
where:
Base-Base interactions energy: -211.820
where: short stacking energy: -123.394
Base-Backbone interact. energy: -4.065
local terms energy: -234.275496
where:
bonds (distance) C4'-P energy: -73.962
bonds (distance) P-C4' energy: -61.405
flat angles C4'-P-C4' energy: -59.691
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -4.297
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -302.534315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.534315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.534315 (E_RNA)
where:
Base-Base interactions energy: -89.930
where: short stacking energy: -77.485
Base-Backbone interact. energy: -1.440
local terms energy: -211.164814
where:
bonds (distance) C4'-P energy: -62.341
bonds (distance) P-C4' energy: -66.841
flat angles C4'-P-C4' energy: -57.194
flat angles P-C4'-P energy: -34.574
tors. eta vs tors. theta energy: 9.786
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: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1431.451840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.451840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.451840 (E_RNA)
where:
Base-Base interactions energy: -986.442
where: short stacking energy: -410.066
Base-Backbone interact. energy: -1.137
local terms energy: -443.872054
where:
bonds (distance) C4'-P energy: -77.904
bonds (distance) P-C4' energy: -79.874
flat angles C4'-P-C4' energy: -91.456
flat angles P-C4'-P energy: -59.760
tors. eta vs tors. theta energy: -134.878
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: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1347.690244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.690244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.690244 (E_RNA)
where:
Base-Base interactions energy: -912.957
where: short stacking energy: -374.591
Base-Backbone interact. energy: -1.310
local terms energy: -433.423043
where:
bonds (distance) C4'-P energy: -87.954
bonds (distance) P-C4' energy: -79.871
flat angles C4'-P-C4' energy: -89.304
flat angles P-C4'-P energy: -58.213
tors. eta vs tors. theta energy: -118.081
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: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1293.238775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.238775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.238775 (E_RNA)
where:
Base-Base interactions energy: -888.239
where: short stacking energy: -369.779
Base-Backbone interact. energy: 0.717
local terms energy: -405.716292
where:
bonds (distance) C4'-P energy: -70.703
bonds (distance) P-C4' energy: -72.305
flat angles C4'-P-C4' energy: -91.838
flat angles P-C4'-P energy: -62.196
tors. eta vs tors. theta energy: -108.674
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: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1234.784330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.784330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.784330 (E_RNA)
where:
Base-Base interactions energy: -843.672
where: short stacking energy: -341.504
Base-Backbone interact. energy: -1.137
local terms energy: -389.976172
where:
bonds (distance) C4'-P energy: -73.923
bonds (distance) P-C4' energy: -75.107
flat angles C4'-P-C4' energy: -84.744
flat angles P-C4'-P energy: -51.562
tors. eta vs tors. theta energy: -104.639
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: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1165.125846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.125846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.125846 (E_RNA)
where:
Base-Base interactions energy: -796.762
where: short stacking energy: -333.657
Base-Backbone interact. energy: -0.568
local terms energy: -367.796208
where:
bonds (distance) C4'-P energy: -70.330
bonds (distance) P-C4' energy: -60.524
flat angles C4'-P-C4' energy: -74.467
flat angles P-C4'-P energy: -56.726
tors. eta vs tors. theta energy: -105.750
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: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1053.940475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.940475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.940475 (E_RNA)
where:
Base-Base interactions energy: -721.986
where: short stacking energy: -295.615
Base-Backbone interact. energy: -0.821
local terms energy: -331.133452
where:
bonds (distance) C4'-P energy: -77.179
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -50.887
tors. eta vs tors. theta energy: -80.421
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: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -749.170634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.170634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.170634 (E_RNA)
where:
Base-Base interactions energy: -464.688
where: short stacking energy: -212.597
Base-Backbone interact. energy: 0.389
local terms energy: -284.871387
where:
bonds (distance) C4'-P energy: -72.959
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -61.331
flat angles P-C4'-P energy: -47.219
tors. eta vs tors. theta energy: -47.082
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: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -610.027493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.027493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.027493 (E_RNA)
where:
Base-Base interactions energy: -336.349
where: short stacking energy: -156.440
Base-Backbone interact. energy: -1.639
local terms energy: -272.039615
where:
bonds (distance) C4'-P energy: -73.490
bonds (distance) P-C4' energy: -65.666
flat angles C4'-P-C4' energy: -60.804
flat angles P-C4'-P energy: -48.996
tors. eta vs tors. theta energy: -23.083
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: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -406.314443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.314443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.314443 (E_RNA)
where:
Base-Base interactions energy: -182.965
where: short stacking energy: -97.386
Base-Backbone interact. energy: -1.392
local terms energy: -221.957321
where:
bonds (distance) C4'-P energy: -58.711
bonds (distance) P-C4' energy: -73.496
flat angles C4'-P-C4' energy: -71.288
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: 7.177
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: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -323.093652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.093652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.093652 (E_RNA)
where:
Base-Base interactions energy: -123.848
where: short stacking energy: -98.296
Base-Backbone interact. energy: 0.747
local terms energy: -199.992818
where:
bonds (distance) C4'-P energy: -52.865
bonds (distance) P-C4' energy: -67.916
flat angles C4'-P-C4' energy: -64.957
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: 20.518
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: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1410.905949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.905949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.905949 (E_RNA)
where:
Base-Base interactions energy: -972.692
where: short stacking energy: -394.645
Base-Backbone interact. energy: -1.059
local terms energy: -437.154911
where:
bonds (distance) C4'-P energy: -78.124
bonds (distance) P-C4' energy: -74.603
flat angles C4'-P-C4' energy: -95.433
flat angles P-C4'-P energy: -60.552
tors. eta vs tors. theta energy: -128.443
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: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1323.326698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.326698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.326698 (E_RNA)
where:
Base-Base interactions energy: -898.612
where: short stacking energy: -363.200
Base-Backbone interact. energy: -1.365
local terms energy: -423.350007
where:
bonds (distance) C4'-P energy: -78.313
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -68.820
tors. eta vs tors. theta energy: -113.260
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: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1301.148346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.148346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.148346 (E_RNA)
where:
Base-Base interactions energy: -901.791
where: short stacking energy: -366.887
Base-Backbone interact. energy: 1.339
local terms energy: -400.695871
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -77.277
flat angles C4'-P-C4' energy: -95.234
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -110.540
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: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1267.052528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.052528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.052528 (E_RNA)
where:
Base-Base interactions energy: -863.895
where: short stacking energy: -344.364
Base-Backbone interact. energy: -3.930
local terms energy: -399.227337
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -78.429
flat angles C4'-P-C4' energy: -88.004
flat angles P-C4'-P energy: -61.632
tors. eta vs tors. theta energy: -106.713
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: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1175.270497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.270497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.270497 (E_RNA)
where:
Base-Base interactions energy: -799.623
where: short stacking energy: -335.111
Base-Backbone interact. energy: -1.219
local terms energy: -374.427849
where:
bonds (distance) C4'-P energy: -66.528
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -83.055
flat angles P-C4'-P energy: -55.680
tors. eta vs tors. theta energy: -103.454
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: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1045.734894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.734894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.734894 (E_RNA)
where:
Base-Base interactions energy: -684.051
where: short stacking energy: -276.615
Base-Backbone interact. energy: 1.935
local terms energy: -363.619126
where:
bonds (distance) C4'-P energy: -71.045
bonds (distance) P-C4' energy: -78.879
flat angles C4'-P-C4' energy: -74.698
flat angles P-C4'-P energy: -52.903
tors. eta vs tors. theta energy: -86.093
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: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -718.445517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.445517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.445517 (E_RNA)
where:
Base-Base interactions energy: -429.740
where: short stacking energy: -192.528
Base-Backbone interact. energy: -1.579
local terms energy: -287.126733
where:
bonds (distance) C4'-P energy: -63.183
bonds (distance) P-C4' energy: -70.163
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -50.272
tors. eta vs tors. theta energy: -38.411
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: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -594.750625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.750625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.750625 (E_RNA)
where:
Base-Base interactions energy: -329.257
where: short stacking energy: -167.817
Base-Backbone interact. energy: -0.300
local terms energy: -265.192788
where:
bonds (distance) C4'-P energy: -71.729
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -51.538
flat angles P-C4'-P energy: -39.291
tors. eta vs tors. theta energy: -29.074
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: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -423.284476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.284476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.284476 (E_RNA)
where:
Base-Base interactions energy: -181.979
where: short stacking energy: -118.157
Base-Backbone interact. energy: 0.038
local terms energy: -241.343406
where:
bonds (distance) C4'-P energy: -72.526
bonds (distance) P-C4' energy: -77.986
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: 5.983
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: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -376.094449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.094449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.094449 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -94.145
Base-Backbone interact. energy: 0.718
local terms energy: -226.867327
where:
bonds (distance) C4'-P energy: -75.017
bonds (distance) P-C4' energy: -62.153
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -32.596
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: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1424.586775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.586775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.586775 (E_RNA)
where:
Base-Base interactions energy: -997.677
where: short stacking energy: -406.558
Base-Backbone interact. energy: 5.670
local terms energy: -432.579672
where:
bonds (distance) C4'-P energy: -85.167
bonds (distance) P-C4' energy: -75.376
flat angles C4'-P-C4' energy: -90.383
flat angles P-C4'-P energy: -50.977
tors. eta vs tors. theta energy: -130.677
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: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1342.077654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.077654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.077654 (E_RNA)
where:
Base-Base interactions energy: -909.132
where: short stacking energy: -376.694
Base-Backbone interact. energy: -1.571
local terms energy: -431.375101
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -78.034
flat angles C4'-P-C4' energy: -82.128
flat angles P-C4'-P energy: -63.302
tors. eta vs tors. theta energy: -123.234
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: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1303.642873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.642873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.642873 (E_RNA)
where:
Base-Base interactions energy: -889.016
where: short stacking energy: -352.633
Base-Backbone interact. energy: -2.544
local terms energy: -412.082950
where:
bonds (distance) C4'-P energy: -74.105
bonds (distance) P-C4' energy: -70.884
flat angles C4'-P-C4' energy: -82.757
flat angles P-C4'-P energy: -72.142
tors. eta vs tors. theta energy: -112.195
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: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1232.380851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.380851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.380851 (E_RNA)
where:
Base-Base interactions energy: -832.803
where: short stacking energy: -343.818
Base-Backbone interact. energy: 2.259
local terms energy: -401.836402
where:
bonds (distance) C4'-P energy: -81.829
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -76.995
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -107.808
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: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1108.821758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.821758 (E_RNA)
where:
Base-Base interactions energy: -739.474
where: short stacking energy: -293.933
Base-Backbone interact. energy: -1.034
local terms energy: -368.314498
where:
bonds (distance) C4'-P energy: -71.276
bonds (distance) P-C4' energy: -75.115
flat angles C4'-P-C4' energy: -77.374
flat angles P-C4'-P energy: -57.136
tors. eta vs tors. theta energy: -87.413
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: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1073.714897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.714897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.714897 (E_RNA)
where:
Base-Base interactions energy: -709.871
where: short stacking energy: -301.450
Base-Backbone interact. energy: -1.162
local terms energy: -362.681992
where:
bonds (distance) C4'-P energy: -60.969
bonds (distance) P-C4' energy: -69.314
flat angles C4'-P-C4' energy: -91.507
flat angles P-C4'-P energy: -56.453
tors. eta vs tors. theta energy: -84.439
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: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -728.390522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.390522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.390522 (E_RNA)
where:
Base-Base interactions energy: -423.694
where: short stacking energy: -190.932
Base-Backbone interact. energy: -1.599
local terms energy: -303.097886
where:
bonds (distance) C4'-P energy: -56.165
bonds (distance) P-C4' energy: -71.555
flat angles C4'-P-C4' energy: -72.558
flat angles P-C4'-P energy: -57.796
tors. eta vs tors. theta energy: -45.023
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: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -615.550330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.550330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.550330 (E_RNA)
where:
Base-Base interactions energy: -356.937
where: short stacking energy: -177.518
Base-Backbone interact. energy: -1.528
local terms energy: -257.085682
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -84.253
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -27.903
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -457.902044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.902044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.902044 (E_RNA)
where:
Base-Base interactions energy: -228.862
where: short stacking energy: -127.880
Base-Backbone interact. energy: 1.153
local terms energy: -230.192635
where:
bonds (distance) C4'-P energy: -75.353
bonds (distance) P-C4' energy: -72.282
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: 2.462
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: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -354.814825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.814825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.814825 (E_RNA)
where:
Base-Base interactions energy: -145.716
where: short stacking energy: -104.733
Base-Backbone interact. energy: -2.401
local terms energy: -206.698134
where:
bonds (distance) C4'-P energy: -55.018
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -58.750
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: 6.445
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: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1406.181528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.181528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.181528 (E_RNA)
where:
Base-Base interactions energy: -992.172
where: short stacking energy: -405.831
Base-Backbone interact. energy: -0.985
local terms energy: -413.023977
where:
bonds (distance) C4'-P energy: -66.906
bonds (distance) P-C4' energy: -85.879
flat angles C4'-P-C4' energy: -85.975
flat angles P-C4'-P energy: -51.404
tors. eta vs tors. theta energy: -122.860
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: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1334.181515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.181515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.181515 (E_RNA)
where:
Base-Base interactions energy: -933.491
where: short stacking energy: -379.218
Base-Backbone interact. energy: 0.547
local terms energy: -401.238377
where:
bonds (distance) C4'-P energy: -71.392
bonds (distance) P-C4' energy: -72.743
flat angles C4'-P-C4' energy: -79.579
flat angles P-C4'-P energy: -64.209
tors. eta vs tors. theta energy: -113.316
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: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1287.410167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.410167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.410167 (E_RNA)
where:
Base-Base interactions energy: -899.074
where: short stacking energy: -373.544
Base-Backbone interact. energy: 0.526
local terms energy: -388.861912
where:
bonds (distance) C4'-P energy: -68.923
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -88.032
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -107.626
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1235.812951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.812951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.812951 (E_RNA)
where:
Base-Base interactions energy: -849.101
where: short stacking energy: -365.931
Base-Backbone interact. energy: 1.523
local terms energy: -388.234897
where:
bonds (distance) C4'-P energy: -74.578
bonds (distance) P-C4' energy: -73.093
flat angles C4'-P-C4' energy: -79.425
flat angles P-C4'-P energy: -56.039
tors. eta vs tors. theta energy: -105.100
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: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1111.752105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.752105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.752105 (E_RNA)
where:
Base-Base interactions energy: -749.637
where: short stacking energy: -311.121
Base-Backbone interact. energy: -2.329
local terms energy: -359.786068
where:
bonds (distance) C4'-P energy: -64.042
bonds (distance) P-C4' energy: -74.962
flat angles C4'-P-C4' energy: -73.740
flat angles P-C4'-P energy: -50.574
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: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1083.121454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.121454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.121454 (E_RNA)
where:
Base-Base interactions energy: -721.751
where: short stacking energy: -300.491
Base-Backbone interact. energy: -1.881
local terms energy: -359.489860
where:
bonds (distance) C4'-P energy: -65.978
bonds (distance) P-C4' energy: -73.639
flat angles C4'-P-C4' energy: -73.341
flat angles P-C4'-P energy: -53.619
tors. eta vs tors. theta energy: -92.914
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: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -737.660482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.660482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.660482 (E_RNA)
where:
Base-Base interactions energy: -439.294
where: short stacking energy: -192.278
Base-Backbone interact. energy: -2.453
local terms energy: -295.913378
where:
bonds (distance) C4'-P energy: -76.413
bonds (distance) P-C4' energy: -66.660
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -39.279
tors. eta vs tors. theta energy: -51.190
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: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -598.759599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.759599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.759599 (E_RNA)
where:
Base-Base interactions energy: -337.232
where: short stacking energy: -165.232
Base-Backbone interact. energy: -1.611
local terms energy: -259.916810
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -64.425
flat angles C4'-P-C4' energy: -71.502
flat angles P-C4'-P energy: -36.066
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -422.284006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.284006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.284006 (E_RNA)
where:
Base-Base interactions energy: -197.783
where: short stacking energy: -120.886
Base-Backbone interact. energy: 1.091
local terms energy: -225.592182
where:
bonds (distance) C4'-P energy: -66.809
bonds (distance) P-C4' energy: -79.039
flat angles C4'-P-C4' energy: -40.804
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -3.730
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: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -336.290228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.290228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.290228 (E_RNA)
where:
Base-Base interactions energy: -129.383
where: short stacking energy: -107.865
Base-Backbone interact. energy: 3.352
local terms energy: -210.259365
where:
bonds (distance) C4'-P energy: -70.387
bonds (distance) P-C4' energy: -61.147
flat angles C4'-P-C4' energy: -40.673
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: 3.076
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: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1409.133737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.133737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.133737 (E_RNA)
where:
Base-Base interactions energy: -983.747
where: short stacking energy: -414.106
Base-Backbone interact. energy: -1.033
local terms energy: -424.353449
where:
bonds (distance) C4'-P energy: -72.963
bonds (distance) P-C4' energy: -82.871
flat angles C4'-P-C4' energy: -91.434
flat angles P-C4'-P energy: -54.311
tors. eta vs tors. theta energy: -122.774
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: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1344.881120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.881120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.881120 (E_RNA)
where:
Base-Base interactions energy: -939.929
where: short stacking energy: -390.254
Base-Backbone interact. energy: 0.108
local terms energy: -405.060102
where:
bonds (distance) C4'-P energy: -75.114
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -89.330
flat angles P-C4'-P energy: -58.234
tors. eta vs tors. theta energy: -109.841
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: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1305.985347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.985347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.985347 (E_RNA)
where:
Base-Base interactions energy: -901.031
where: short stacking energy: -381.653
Base-Backbone interact. energy: -0.480
local terms energy: -404.473979
where:
bonds (distance) C4'-P energy: -77.863
bonds (distance) P-C4' energy: -70.513
flat angles C4'-P-C4' energy: -87.295
flat angles P-C4'-P energy: -56.416
tors. eta vs tors. theta energy: -112.387
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: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1241.714458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.714458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.714458 (E_RNA)
where:
Base-Base interactions energy: -851.011
where: short stacking energy: -340.257
Base-Backbone interact. energy: -1.177
local terms energy: -389.526379
where:
bonds (distance) C4'-P energy: -70.611
bonds (distance) P-C4' energy: -69.394
flat angles C4'-P-C4' energy: -87.907
flat angles P-C4'-P energy: -54.413
tors. eta vs tors. theta energy: -107.202
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: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1111.018886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.018886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.018886 (E_RNA)
where:
Base-Base interactions energy: -728.170
where: short stacking energy: -316.158
Base-Backbone interact. energy: -1.138
local terms energy: -381.710942
where:
bonds (distance) C4'-P energy: -68.613
bonds (distance) P-C4' energy: -85.523
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -50.486
tors. eta vs tors. theta energy: -94.547
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: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1081.401415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.401415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.401415 (E_RNA)
where:
Base-Base interactions energy: -724.021
where: short stacking energy: -297.216
Base-Backbone interact. energy: 1.753
local terms energy: -359.132965
where:
bonds (distance) C4'-P energy: -71.325
bonds (distance) P-C4' energy: -63.388
flat angles C4'-P-C4' energy: -82.885
flat angles P-C4'-P energy: -53.332
tors. eta vs tors. theta energy: -88.204
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: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -769.463205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.463205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.463205 (E_RNA)
where:
Base-Base interactions energy: -461.229
where: short stacking energy: -218.245
Base-Backbone interact. energy: 0.047
local terms energy: -308.281600
where:
bonds (distance) C4'-P energy: -80.636
bonds (distance) P-C4' energy: -67.490
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -55.859
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: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -645.168758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.168758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.168758 (E_RNA)
where:
Base-Base interactions energy: -371.499
where: short stacking energy: -173.049
Base-Backbone interact. energy: -1.754
local terms energy: -271.915820
where:
bonds (distance) C4'-P energy: -63.047
bonds (distance) P-C4' energy: -74.173
flat angles C4'-P-C4' energy: -63.326
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -25.278
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: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -424.481464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.481464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.481464 (E_RNA)
where:
Base-Base interactions energy: -198.883
where: short stacking energy: -139.658
Base-Backbone interact. energy: 0.090
local terms energy: -225.688777
where:
bonds (distance) C4'-P energy: -71.450
bonds (distance) P-C4' energy: -66.280
flat angles C4'-P-C4' energy: -55.868
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -6.092
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: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -321.537790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.537790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.537790 (E_RNA)
where:
Base-Base interactions energy: -128.289
where: short stacking energy: -83.348
Base-Backbone interact. energy: 1.636
local terms energy: -194.885180
where:
bonds (distance) C4'-P energy: -69.164
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -43.005
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: 6.350
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: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1417.815418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.815418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.815418 (E_RNA)
where:
Base-Base interactions energy: -980.535
where: short stacking energy: -405.078
Base-Backbone interact. energy: -1.097
local terms energy: -436.182975
where:
bonds (distance) C4'-P energy: -76.754
bonds (distance) P-C4' energy: -81.558
flat angles C4'-P-C4' energy: -91.287
flat angles P-C4'-P energy: -57.886
tors. eta vs tors. theta energy: -128.698
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: 396
Temperature: 0.950000
Total energy: -1348.602299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.602299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.602299 (E_RNA)
where:
Base-Base interactions energy: -924.393
where: short stacking energy: -376.397
Base-Backbone interact. energy: 0.072
local terms energy: -424.281040
where:
bonds (distance) C4'-P energy: -81.250
bonds (distance) P-C4' energy: -84.752
flat angles C4'-P-C4' energy: -88.599
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -103.954
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: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1292.274805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.274805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.274805 (E_RNA)
where:
Base-Base interactions energy: -874.118
where: short stacking energy: -363.399
Base-Backbone interact. energy: -3.548
local terms energy: -414.609064
where:
bonds (distance) C4'-P energy: -83.973
bonds (distance) P-C4' energy: -73.623
flat angles C4'-P-C4' energy: -89.506
flat angles P-C4'-P energy: -54.197
tors. eta vs tors. theta energy: -113.311
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: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1259.135791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.135791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.135791 (E_RNA)
where:
Base-Base interactions energy: -869.472
where: short stacking energy: -361.458
Base-Backbone interact. energy: 1.364
local terms energy: -391.028510
where:
bonds (distance) C4'-P energy: -70.798
bonds (distance) P-C4' energy: -67.413
flat angles C4'-P-C4' energy: -79.517
flat angles P-C4'-P energy: -59.435
tors. eta vs tors. theta energy: -113.866
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: 396
Temperature: 1.100000
Total energy: -1096.979753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.979753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.979753 (E_RNA)
where:
Base-Base interactions energy: -723.934
where: short stacking energy: -320.725
Base-Backbone interact. energy: -0.766
local terms energy: -372.279843
where:
bonds (distance) C4'-P energy: -75.547
bonds (distance) P-C4' energy: -64.886
flat angles C4'-P-C4' energy: -81.857
flat angles P-C4'-P energy: -57.791
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: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1111.831763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.831763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.831763 (E_RNA)
where:
Base-Base interactions energy: -747.191
where: short stacking energy: -318.250
Base-Backbone interact. energy: -1.507
local terms energy: -363.134233
where:
bonds (distance) C4'-P energy: -69.987
bonds (distance) P-C4' energy: -57.584
flat angles C4'-P-C4' energy: -79.893
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -97.815
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: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -728.806466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.806466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.806466 (E_RNA)
where:
Base-Base interactions energy: -412.634
where: short stacking energy: -197.722
Base-Backbone interact. energy: -1.618
local terms energy: -314.555168
where:
bonds (distance) C4'-P energy: -82.591
bonds (distance) P-C4' energy: -78.799
flat angles C4'-P-C4' energy: -61.815
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -45.088
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -579.392034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.392034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.392034 (E_RNA)
where:
Base-Base interactions energy: -295.859
where: short stacking energy: -158.425
Base-Backbone interact. energy: -1.268
local terms energy: -282.264836
where:
bonds (distance) C4'-P energy: -73.741
bonds (distance) P-C4' energy: -75.714
flat angles C4'-P-C4' energy: -67.323
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -29.372
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: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -415.021119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.021119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.021119 (E_RNA)
where:
Base-Base interactions energy: -181.723
where: short stacking energy: -108.244
Base-Backbone interact. energy: -0.164
local terms energy: -233.134565
where:
bonds (distance) C4'-P energy: -62.454
bonds (distance) P-C4' energy: -77.650
flat angles C4'-P-C4' energy: -55.706
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -7.169
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: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -334.599430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.599430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.599430 (E_RNA)
where:
Base-Base interactions energy: -92.122
where: short stacking energy: -71.916
Base-Backbone interact. energy: -2.366
local terms energy: -240.111427
where:
bonds (distance) C4'-P energy: -57.587
bonds (distance) P-C4' energy: -74.007
flat angles C4'-P-C4' energy: -75.194
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: 1.214
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: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1421.582371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.582371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.582371 (E_RNA)
where:
Base-Base interactions energy: -984.009
where: short stacking energy: -407.856
Base-Backbone interact. energy: -2.079
local terms energy: -435.494202
where:
bonds (distance) C4'-P energy: -79.036
bonds (distance) P-C4' energy: -74.056
flat angles C4'-P-C4' energy: -88.495
flat angles P-C4'-P energy: -61.344
tors. eta vs tors. theta energy: -132.563
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: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1317.262952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.262952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.262952 (E_RNA)
where:
Base-Base interactions energy: -925.587
where: short stacking energy: -370.865
Base-Backbone interact. energy: -2.119
local terms energy: -389.557238
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -84.135
flat angles C4'-P-C4' energy: -84.092
flat angles P-C4'-P energy: -55.829
tors. eta vs tors. theta energy: -101.473
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1278.088547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.088547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.088547 (E_RNA)
where:
Base-Base interactions energy: -858.592
where: short stacking energy: -349.512
Base-Backbone interact. energy: -3.078
local terms energy: -416.418562
where:
bonds (distance) C4'-P energy: -69.940
bonds (distance) P-C4' energy: -86.516
flat angles C4'-P-C4' energy: -91.792
flat angles P-C4'-P energy: -62.450
tors. eta vs tors. theta energy: -105.720
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: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1291.094853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.094853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.094853 (E_RNA)
where:
Base-Base interactions energy: -892.925
where: short stacking energy: -382.392
Base-Backbone interact. energy: -0.315
local terms energy: -397.854595
where:
bonds (distance) C4'-P energy: -65.759
bonds (distance) P-C4' energy: -69.131
flat angles C4'-P-C4' energy: -79.837
flat angles P-C4'-P energy: -58.780
tors. eta vs tors. theta energy: -124.348
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: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1086.013620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.013620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.013620 (E_RNA)
where:
Base-Base interactions energy: -730.978
where: short stacking energy: -313.886
Base-Backbone interact. energy: -0.938
local terms energy: -354.097554
where:
bonds (distance) C4'-P energy: -76.753
bonds (distance) P-C4' energy: -63.041
flat angles C4'-P-C4' energy: -73.939
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -89.985
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: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1102.166548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.166548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.166548 (E_RNA)
where:
Base-Base interactions energy: -749.929
where: short stacking energy: -316.483
Base-Backbone interact. energy: -3.699
local terms energy: -348.538562
where:
bonds (distance) C4'-P energy: -59.853
bonds (distance) P-C4' energy: -72.346
flat angles C4'-P-C4' energy: -70.611
flat angles P-C4'-P energy: -50.106
tors. eta vs tors. theta energy: -95.623
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: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -738.769019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.769019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.769019 (E_RNA)
where:
Base-Base interactions energy: -440.295
where: short stacking energy: -200.568
Base-Backbone interact. energy: 1.005
local terms energy: -299.478966
where:
bonds (distance) C4'-P energy: -68.075
bonds (distance) P-C4' energy: -70.170
flat angles C4'-P-C4' energy: -65.800
flat angles P-C4'-P energy: -56.107
tors. eta vs tors. theta energy: -39.327
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -535.718254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.718254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.718254 (E_RNA)
where:
Base-Base interactions energy: -284.322
where: short stacking energy: -142.012
Base-Backbone interact. energy: -0.871
local terms energy: -250.524728
where:
bonds (distance) C4'-P energy: -74.331
bonds (distance) P-C4' energy: -71.463
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -3.781
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -456.659034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.659034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.659034 (E_RNA)
where:
Base-Base interactions energy: -226.812
where: short stacking energy: -126.995
Base-Backbone interact. energy: -2.710
local terms energy: -227.136763
where:
bonds (distance) C4'-P energy: -67.209
bonds (distance) P-C4' energy: -79.304
flat angles C4'-P-C4' energy: -47.907
flat angles P-C4'-P energy: -33.599
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: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -339.257068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.257068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.257068 (E_RNA)
where:
Base-Base interactions energy: -136.321
where: short stacking energy: -83.004
Base-Backbone interact. energy: 0.212
local terms energy: -203.148208
where:
bonds (distance) C4'-P energy: -69.651
bonds (distance) P-C4' energy: -56.931
flat angles C4'-P-C4' energy: -53.179
flat angles P-C4'-P energy: -35.889
tors. eta vs tors. theta energy: 12.503
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: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1411.126284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.126284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.126284 (E_RNA)
where:
Base-Base interactions energy: -980.937
where: short stacking energy: -392.947
Base-Backbone interact. energy: -0.892
local terms energy: -429.297267
where:
bonds (distance) C4'-P energy: -65.559
bonds (distance) P-C4' energy: -87.302
flat angles C4'-P-C4' energy: -93.968
flat angles P-C4'-P energy: -53.188
tors. eta vs tors. theta energy: -129.281
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: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1326.773952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.773952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.773952 (E_RNA)
where:
Base-Base interactions energy: -922.423
where: short stacking energy: -379.546
Base-Backbone interact. energy: -0.371
local terms energy: -403.980578
where:
bonds (distance) C4'-P energy: -75.166
bonds (distance) P-C4' energy: -74.682
flat angles C4'-P-C4' energy: -85.899
flat angles P-C4'-P energy: -53.197
tors. eta vs tors. theta energy: -115.037
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: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1321.049809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.049809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.049809 (E_RNA)
where:
Base-Base interactions energy: -915.165
where: short stacking energy: -389.065
Base-Backbone interact. energy: -2.147
local terms energy: -403.738448
where:
bonds (distance) C4'-P energy: -65.382
bonds (distance) P-C4' energy: -80.075
flat angles C4'-P-C4' energy: -84.859
flat angles P-C4'-P energy: -55.231
tors. eta vs tors. theta energy: -118.191
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: 398
Temperature: 1.050000
Total energy: -1245.233213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.233213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.233213 (E_RNA)
where:
Base-Base interactions energy: -853.734
where: short stacking energy: -351.464
Base-Backbone interact. energy: 2.553
local terms energy: -394.052005
where:
bonds (distance) C4'-P energy: -68.416
bonds (distance) P-C4' energy: -69.616
flat angles C4'-P-C4' energy: -94.717
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -97.782
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: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1066.660430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.660430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.660430 (E_RNA)
where:
Base-Base interactions energy: -695.645
where: short stacking energy: -285.274
Base-Backbone interact. energy: -0.971
local terms energy: -370.045126
where:
bonds (distance) C4'-P energy: -69.631
bonds (distance) P-C4' energy: -71.517
flat angles C4'-P-C4' energy: -81.178
flat angles P-C4'-P energy: -65.265
tors. eta vs tors. theta energy: -82.454
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: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1115.776902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.776902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.776902 (E_RNA)
where:
Base-Base interactions energy: -766.254
where: short stacking energy: -319.000
Base-Backbone interact. energy: -1.633
local terms energy: -347.889903
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -76.127
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -49.207
tors. eta vs tors. theta energy: -100.733
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -830.015299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.015299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.015299 (E_RNA)
where:
Base-Base interactions energy: -503.100
where: short stacking energy: -237.442
Base-Backbone interact. energy: -1.198
local terms energy: -325.717503
where:
bonds (distance) C4'-P energy: -77.024
bonds (distance) P-C4' energy: -65.983
flat angles C4'-P-C4' energy: -68.613
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -58.279
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: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -542.109328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.109328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.109328 (E_RNA)
where:
Base-Base interactions energy: -299.170
where: short stacking energy: -129.647
Base-Backbone interact. energy: 0.649
local terms energy: -243.588008
where:
bonds (distance) C4'-P energy: -70.168
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -64.996
flat angles P-C4'-P energy: -36.941
tors. eta vs tors. theta energy: -13.347
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: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -334.241992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.241992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.241992 (E_RNA)
where:
Base-Base interactions energy: -113.567
where: short stacking energy: -76.980
Base-Backbone interact. energy: -1.736
local terms energy: -218.939350
where:
bonds (distance) C4'-P energy: -74.102
bonds (distance) P-C4' energy: -62.617
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -35.608
tors. eta vs tors. theta energy: 11.469
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: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -435.192318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.192318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.192318 (E_RNA)
where:
Base-Base interactions energy: -238.367
where: short stacking energy: -122.983
Base-Backbone interact. energy: 6.856
local terms energy: -203.681368
where:
bonds (distance) C4'-P energy: -65.380
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: -4.318
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: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1419.664378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.664378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.664378 (E_RNA)
where:
Base-Base interactions energy: -971.936
where: short stacking energy: -402.886
Base-Backbone interact. energy: -2.828
local terms energy: -444.900397
where:
bonds (distance) C4'-P energy: -85.345
bonds (distance) P-C4' energy: -75.661
flat angles C4'-P-C4' energy: -92.737
flat angles P-C4'-P energy: -55.925
tors. eta vs tors. theta energy: -135.233
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: 399
Temperature: 0.950000
Total energy: -1322.089357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.089357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.089357 (E_RNA)
where:
Base-Base interactions energy: -899.460
where: short stacking energy: -373.193
Base-Backbone interact. energy: -3.099
local terms energy: -419.530275
where:
bonds (distance) C4'-P energy: -79.555
bonds (distance) P-C4' energy: -78.425
flat angles C4'-P-C4' energy: -87.443
flat angles P-C4'-P energy: -60.362
tors. eta vs tors. theta energy: -113.745
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: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1301.248606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.248606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.248606 (E_RNA)
where:
Base-Base interactions energy: -893.868
where: short stacking energy: -388.384
Base-Backbone interact. energy: -2.373
local terms energy: -405.007028
where:
bonds (distance) C4'-P energy: -62.038
bonds (distance) P-C4' energy: -81.075
flat angles C4'-P-C4' energy: -84.855
flat angles P-C4'-P energy: -57.071
tors. eta vs tors. theta energy: -119.968
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: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1239.882953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.882953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.882953 (E_RNA)
where:
Base-Base interactions energy: -869.732
where: short stacking energy: -359.767
Base-Backbone interact. energy: 3.188
local terms energy: -373.338593
where:
bonds (distance) C4'-P energy: -70.007
bonds (distance) P-C4' energy: -67.523
flat angles C4'-P-C4' energy: -72.591
flat angles P-C4'-P energy: -58.867
tors. eta vs tors. theta energy: -104.349
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1139.010799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.010799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.010799 (E_RNA)
where:
Base-Base interactions energy: -778.658
where: short stacking energy: -330.320
Base-Backbone interact. energy: -0.027
local terms energy: -360.326268
where:
bonds (distance) C4'-P energy: -70.335
bonds (distance) P-C4' energy: -69.086
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -46.561
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: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1134.121308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.121308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.121308 (E_RNA)
where:
Base-Base interactions energy: -769.107
where: short stacking energy: -341.232
Base-Backbone interact. energy: -0.783
local terms energy: -364.231412
where:
bonds (distance) C4'-P energy: -72.803
bonds (distance) P-C4' energy: -67.552
flat angles C4'-P-C4' energy: -77.326
flat angles P-C4'-P energy: -44.391
tors. eta vs tors. theta energy: -102.160
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: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -793.815979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.815979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.815979 (E_RNA)
where:
Base-Base interactions energy: -473.328
where: short stacking energy: -208.600
Base-Backbone interact. energy: 0.349
local terms energy: -320.836453
where:
bonds (distance) C4'-P energy: -62.817
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -72.895
flat angles P-C4'-P energy: -61.752
tors. eta vs tors. theta energy: -60.651
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: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -520.438415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.438415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.438415 (E_RNA)
where:
Base-Base interactions energy: -242.136
where: short stacking energy: -122.597
Base-Backbone interact. energy: -1.812
local terms energy: -276.490033
where:
bonds (distance) C4'-P energy: -80.386
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -75.278
flat angles P-C4'-P energy: -49.463
tors. eta vs tors. theta energy: -10.026
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: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -368.733368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.733368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.733368 (E_RNA)
where:
Base-Base interactions energy: -123.928
where: short stacking energy: -118.143
Base-Backbone interact. energy: -2.615
local terms energy: -242.190362
where:
bonds (distance) C4'-P energy: -75.169
bonds (distance) P-C4' energy: -71.867
flat angles C4'-P-C4' energy: -59.478
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: 0.506
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -411.940530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.940530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.940530 (E_RNA)
where:
Base-Base interactions energy: -196.784
where: short stacking energy: -97.344
Base-Backbone interact. energy: -2.410
local terms energy: -212.746286
where:
bonds (distance) C4'-P energy: -43.569
bonds (distance) P-C4' energy: -77.988
flat angles C4'-P-C4' energy: -50.224
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -0.276
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: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1422.424738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.424738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.424738 (E_RNA)
where:
Base-Base interactions energy: -969.586
where: short stacking energy: -406.086
Base-Backbone interact. energy: -1.798
local terms energy: -451.040992
where:
bonds (distance) C4'-P energy: -73.702
bonds (distance) P-C4' energy: -87.729
flat angles C4'-P-C4' energy: -93.365
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -133.959
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: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1323.719578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.719578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.719578 (E_RNA)
where:
Base-Base interactions energy: -916.234
where: short stacking energy: -386.016
Base-Backbone interact. energy: -2.018
local terms energy: -405.467296
where:
bonds (distance) C4'-P energy: -84.293
bonds (distance) P-C4' energy: -77.159
flat angles C4'-P-C4' energy: -88.283
flat angles P-C4'-P energy: -51.138
tors. eta vs tors. theta energy: -104.595
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: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1301.563675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.563675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.563675 (E_RNA)
where:
Base-Base interactions energy: -912.655
where: short stacking energy: -377.280
Base-Backbone interact. energy: -2.383
local terms energy: -386.525969
where:
bonds (distance) C4'-P energy: -77.158
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -75.858
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -111.263
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: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1236.263964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.263964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.263964 (E_RNA)
where:
Base-Base interactions energy: -845.739
where: short stacking energy: -360.166
Base-Backbone interact. energy: 3.787
local terms energy: -394.312039
where:
bonds (distance) C4'-P energy: -79.977
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -83.483
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -103.209
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: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1176.695482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.695482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.695482 (E_RNA)
where:
Base-Base interactions energy: -790.180
where: short stacking energy: -330.294
Base-Backbone interact. energy: -2.185
local terms energy: -384.329713
where:
bonds (distance) C4'-P energy: -79.354
bonds (distance) P-C4' energy: -72.386
flat angles C4'-P-C4' energy: -75.924
flat angles P-C4'-P energy: -58.820
tors. eta vs tors. theta energy: -97.846
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: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1072.064256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.064256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.064256 (E_RNA)
where:
Base-Base interactions energy: -704.648
where: short stacking energy: -295.356
Base-Backbone interact. energy: -2.742
local terms energy: -364.674452
where:
bonds (distance) C4'-P energy: -75.122
bonds (distance) P-C4' energy: -73.573
flat angles C4'-P-C4' energy: -82.271
flat angles P-C4'-P energy: -56.741
tors. eta vs tors. theta energy: -76.968
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: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -731.450298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.450298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.450298 (E_RNA)
where:
Base-Base interactions energy: -455.811
where: short stacking energy: -213.688
Base-Backbone interact. energy: -0.173
local terms energy: -275.466457
where:
bonds (distance) C4'-P energy: -60.461
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -68.391
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: -39.836
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: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -525.327871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.327871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.327871 (E_RNA)
where:
Base-Base interactions energy: -285.192
where: short stacking energy: -164.606
Base-Backbone interact. energy: -1.161
local terms energy: -238.975048
where:
bonds (distance) C4'-P energy: -65.411
bonds (distance) P-C4' energy: -72.935
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -31.891
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: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -429.478187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.478187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.478187 (E_RNA)
where:
Base-Base interactions energy: -202.466
where: short stacking energy: -134.188
Base-Backbone interact. energy: -1.064
local terms energy: -225.948114
where:
bonds (distance) C4'-P energy: -62.309
bonds (distance) P-C4' energy: -68.833
flat angles C4'-P-C4' energy: -66.178
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -7.433
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: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -304.124566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.124566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.124566 (E_RNA)
where:
Base-Base interactions energy: -103.433
where: short stacking energy: -88.717
Base-Backbone interact. energy: -2.064
local terms energy: -198.627190
where:
bonds (distance) C4'-P energy: -70.121
bonds (distance) P-C4' energy: -70.407
flat angles C4'-P-C4' energy: -48.185
flat angles P-C4'-P energy: -32.614
tors. eta vs tors. theta energy: 22.699
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: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1450.745757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.745757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.745757 (E_RNA)
where:
Base-Base interactions energy: -1015.609
where: short stacking energy: -412.709
Base-Backbone interact. energy: -1.127
local terms energy: -434.009711
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -83.039
flat angles C4'-P-C4' energy: -93.563
flat angles P-C4'-P energy: -51.058
tors. eta vs tors. theta energy: -127.849
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: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1337.440111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.440111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.440111 (E_RNA)
where:
Base-Base interactions energy: -913.462
where: short stacking energy: -390.642
Base-Backbone interact. energy: -2.088
local terms energy: -421.889586
where:
bonds (distance) C4'-P energy: -77.588
bonds (distance) P-C4' energy: -81.467
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -120.346
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: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1277.935093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.935093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.935093 (E_RNA)
where:
Base-Base interactions energy: -877.006
where: short stacking energy: -354.453
Base-Backbone interact. energy: -0.178
local terms energy: -400.751267
where:
bonds (distance) C4'-P energy: -81.807
bonds (distance) P-C4' energy: -76.237
flat angles C4'-P-C4' energy: -81.240
flat angles P-C4'-P energy: -55.795
tors. eta vs tors. theta energy: -105.673
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: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1235.342347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.342347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.342347 (E_RNA)
where:
Base-Base interactions energy: -826.581
where: short stacking energy: -353.025
Base-Backbone interact. energy: 2.727
local terms energy: -411.488554
where:
bonds (distance) C4'-P energy: -71.906
bonds (distance) P-C4' energy: -85.330
flat angles C4'-P-C4' energy: -82.990
flat angles P-C4'-P energy: -60.751
tors. eta vs tors. theta energy: -110.512
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: 401
Temperature: 1.100000
Total energy: -1171.154880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.154880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.154880 (E_RNA)
where:
Base-Base interactions energy: -801.041
where: short stacking energy: -328.554
Base-Backbone interact. energy: -1.411
local terms energy: -368.702648
where:
bonds (distance) C4'-P energy: -59.793
bonds (distance) P-C4' energy: -72.743
flat angles C4'-P-C4' energy: -84.359
flat angles P-C4'-P energy: -51.125
tors. eta vs tors. theta energy: -100.682
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: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1085.000771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.000771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.000771 (E_RNA)
where:
Base-Base interactions energy: -759.844
where: short stacking energy: -315.197
Base-Backbone interact. energy: -0.262
local terms energy: -324.894466
where:
bonds (distance) C4'-P energy: -68.400
bonds (distance) P-C4' energy: -45.984
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: -94.339
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: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -823.022536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.022536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.022536 (E_RNA)
where:
Base-Base interactions energy: -491.963
where: short stacking energy: -229.859
Base-Backbone interact. energy: -1.098
local terms energy: -329.961799
where:
bonds (distance) C4'-P energy: -71.534
bonds (distance) P-C4' energy: -69.856
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -61.054
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -520.742409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.742409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.742409 (E_RNA)
where:
Base-Base interactions energy: -262.882
where: short stacking energy: -135.380
Base-Backbone interact. energy: 0.228
local terms energy: -258.088312
where:
bonds (distance) C4'-P energy: -64.817
bonds (distance) P-C4' energy: -77.695
flat angles C4'-P-C4' energy: -68.353
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -3.789
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: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -435.446659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.446659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.446659 (E_RNA)
where:
Base-Base interactions energy: -199.608
where: short stacking energy: -106.667
Base-Backbone interact. energy: -0.461
local terms energy: -235.377642
where:
bonds (distance) C4'-P energy: -58.684
bonds (distance) P-C4' energy: -74.460
flat angles C4'-P-C4' energy: -64.492
flat angles P-C4'-P energy: -31.338
tors. eta vs tors. theta energy: -6.403
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: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -322.176544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.176544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.176544 (E_RNA)
where:
Base-Base interactions energy: -113.047
where: short stacking energy: -93.159
Base-Backbone interact. energy: -0.031
local terms energy: -209.098279
where:
bonds (distance) C4'-P energy: -65.196
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -48.445
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: 9.329
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: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1428.812971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.812971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.812971 (E_RNA)
where:
Base-Base interactions energy: -984.832
where: short stacking energy: -417.001
Base-Backbone interact. energy: -1.191
local terms energy: -442.790281
where:
bonds (distance) C4'-P energy: -83.176
bonds (distance) P-C4' energy: -77.933
flat angles C4'-P-C4' energy: -92.850
flat angles P-C4'-P energy: -57.972
tors. eta vs tors. theta energy: -130.858
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: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1326.107265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.107265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.107265 (E_RNA)
where:
Base-Base interactions energy: -905.298
where: short stacking energy: -361.117
Base-Backbone interact. energy: -2.926
local terms energy: -417.883561
where:
bonds (distance) C4'-P energy: -83.821
bonds (distance) P-C4' energy: -81.254
flat angles C4'-P-C4' energy: -88.718
flat angles P-C4'-P energy: -57.591
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: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1289.440436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.440436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.440436 (E_RNA)
where:
Base-Base interactions energy: -878.812
where: short stacking energy: -361.571
Base-Backbone interact. energy: -2.797
local terms energy: -407.831043
where:
bonds (distance) C4'-P energy: -72.434
bonds (distance) P-C4' energy: -71.722
flat angles C4'-P-C4' energy: -85.202
flat angles P-C4'-P energy: -62.554
tors. eta vs tors. theta energy: -115.918
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: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1248.620082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.620082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.620082 (E_RNA)
where:
Base-Base interactions energy: -857.813
where: short stacking energy: -345.845
Base-Backbone interact. energy: -2.483
local terms energy: -388.323886
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -75.598
flat angles C4'-P-C4' energy: -89.527
flat angles P-C4'-P energy: -53.913
tors. eta vs tors. theta energy: -108.904
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: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1193.578587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.578587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.578587 (E_RNA)
where:
Base-Base interactions energy: -805.601
where: short stacking energy: -348.725
Base-Backbone interact. energy: -0.782
local terms energy: -387.196008
where:
bonds (distance) C4'-P energy: -59.801
bonds (distance) P-C4' energy: -82.735
flat angles C4'-P-C4' energy: -77.516
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -114.750
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: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1059.774694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.774694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.774694 (E_RNA)
where:
Base-Base interactions energy: -715.684
where: short stacking energy: -299.901
Base-Backbone interact. energy: 3.183
local terms energy: -347.273832
where:
bonds (distance) C4'-P energy: -70.926
bonds (distance) P-C4' energy: -75.006
flat angles C4'-P-C4' energy: -65.027
flat angles P-C4'-P energy: -51.084
tors. eta vs tors. theta energy: -85.231
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: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -709.859306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.859306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.859306 (E_RNA)
where:
Base-Base interactions energy: -426.542
where: short stacking energy: -203.375
Base-Backbone interact. energy: -2.756
local terms energy: -280.560869
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -58.612
flat angles C4'-P-C4' energy: -74.932
flat angles P-C4'-P energy: -44.752
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: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -590.457241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.457241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.457241 (E_RNA)
where:
Base-Base interactions energy: -345.291
where: short stacking energy: -143.593
Base-Backbone interact. energy: 3.470
local terms energy: -248.636562
where:
bonds (distance) C4'-P energy: -71.977
bonds (distance) P-C4' energy: -63.211
flat angles C4'-P-C4' energy: -72.303
flat angles P-C4'-P energy: -35.199
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: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -451.358647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.358647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.358647 (E_RNA)
where:
Base-Base interactions energy: -197.685
where: short stacking energy: -115.476
Base-Backbone interact. energy: -2.129
local terms energy: -251.544888
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -78.805
flat angles C4'-P-C4' energy: -63.230
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -12.439
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: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -323.560824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.560824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.560824 (E_RNA)
where:
Base-Base interactions energy: -86.874
where: short stacking energy: -82.853
Base-Backbone interact. energy: -2.159
local terms energy: -234.528195
where:
bonds (distance) C4'-P energy: -68.660
bonds (distance) P-C4' energy: -77.730
flat angles C4'-P-C4' energy: -59.792
flat angles P-C4'-P energy: -39.911
tors. eta vs tors. theta energy: 11.565
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: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1418.062946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.062946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.062946 (E_RNA)
where:
Base-Base interactions energy: -967.159
where: short stacking energy: -406.092
Base-Backbone interact. energy: -1.153
local terms energy: -449.751491
where:
bonds (distance) C4'-P energy: -86.247
bonds (distance) P-C4' energy: -82.162
flat angles C4'-P-C4' energy: -92.716
flat angles P-C4'-P energy: -56.131
tors. eta vs tors. theta energy: -132.496
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: 403
Temperature: 0.950000
Total energy: -1350.318454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.318454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.318454 (E_RNA)
where:
Base-Base interactions energy: -918.189
where: short stacking energy: -370.558
Base-Backbone interact. energy: -2.115
local terms energy: -430.014484
where:
bonds (distance) C4'-P energy: -83.477
bonds (distance) P-C4' energy: -86.357
flat angles C4'-P-C4' energy: -87.673
flat angles P-C4'-P energy: -55.872
tors. eta vs tors. theta energy: -116.636
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: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1296.044345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.044345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.044345 (E_RNA)
where:
Base-Base interactions energy: -906.683
where: short stacking energy: -377.436
Base-Backbone interact. energy: -1.119
local terms energy: -388.242597
where:
bonds (distance) C4'-P energy: -55.171
bonds (distance) P-C4' energy: -74.205
flat angles C4'-P-C4' energy: -92.944
flat angles P-C4'-P energy: -56.392
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: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1213.867278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.867278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.867278 (E_RNA)
where:
Base-Base interactions energy: -830.677
where: short stacking energy: -357.890
Base-Backbone interact. energy: -2.735
local terms energy: -380.455664
where:
bonds (distance) C4'-P energy: -74.472
bonds (distance) P-C4' energy: -70.443
flat angles C4'-P-C4' energy: -76.837
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -104.983
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: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1152.304844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.304844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.304844 (E_RNA)
where:
Base-Base interactions energy: -777.841
where: short stacking energy: -324.594
Base-Backbone interact. energy: -0.428
local terms energy: -374.035262
where:
bonds (distance) C4'-P energy: -60.864
bonds (distance) P-C4' energy: -74.507
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -55.501
tors. eta vs tors. theta energy: -104.590
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: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1081.001258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.001258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.001258 (E_RNA)
where:
Base-Base interactions energy: -732.336
where: short stacking energy: -307.900
Base-Backbone interact. energy: -0.497
local terms energy: -348.168331
where:
bonds (distance) C4'-P energy: -64.628
bonds (distance) P-C4' energy: -67.797
flat angles C4'-P-C4' energy: -81.239
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -92.722
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: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -701.492731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.492731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.492731 (E_RNA)
where:
Base-Base interactions energy: -425.074
where: short stacking energy: -221.292
Base-Backbone interact. energy: -1.212
local terms energy: -275.206002
where:
bonds (distance) C4'-P energy: -72.749
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -59.595
flat angles P-C4'-P energy: -35.361
tors. eta vs tors. theta energy: -40.133
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: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -584.001010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.001010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.001010 (E_RNA)
where:
Base-Base interactions energy: -305.137
where: short stacking energy: -143.243
Base-Backbone interact. energy: 0.887
local terms energy: -279.750972
where:
bonds (distance) C4'-P energy: -71.554
bonds (distance) P-C4' energy: -68.926
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -46.413
tors. eta vs tors. theta energy: -26.291
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -459.005299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.005299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.005299 (E_RNA)
where:
Base-Base interactions energy: -224.717
where: short stacking energy: -124.936
Base-Backbone interact. energy: 4.907
local terms energy: -239.195123
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -62.216
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -14.625
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: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -336.263741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.263741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.263741 (E_RNA)
where:
Base-Base interactions energy: -102.030
where: short stacking energy: -93.795
Base-Backbone interact. energy: -0.183
local terms energy: -234.050690
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -81.632
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: 6.955
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: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1434.948127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.948127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.948127 (E_RNA)
where:
Base-Base interactions energy: -972.138
where: short stacking energy: -402.663
Base-Backbone interact. energy: -0.327
local terms energy: -462.483265
where:
bonds (distance) C4'-P energy: -84.432
bonds (distance) P-C4' energy: -88.054
flat angles C4'-P-C4' energy: -99.362
flat angles P-C4'-P energy: -59.217
tors. eta vs tors. theta energy: -131.419
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: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1346.991258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.991258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.991258 (E_RNA)
where:
Base-Base interactions energy: -923.057
where: short stacking energy: -391.099
Base-Backbone interact. energy: -2.165
local terms energy: -421.769682
where:
bonds (distance) C4'-P energy: -73.155
bonds (distance) P-C4' energy: -83.202
flat angles C4'-P-C4' energy: -88.930
flat angles P-C4'-P energy: -55.963
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: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1299.776679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.776679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.776679 (E_RNA)
where:
Base-Base interactions energy: -894.780
where: short stacking energy: -388.882
Base-Backbone interact. energy: -0.519
local terms energy: -404.477317
where:
bonds (distance) C4'-P energy: -70.078
bonds (distance) P-C4' energy: -70.473
flat angles C4'-P-C4' energy: -88.456
flat angles P-C4'-P energy: -56.872
tors. eta vs tors. theta energy: -118.598
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: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1231.706364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.706364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.706364 (E_RNA)
where:
Base-Base interactions energy: -862.020
where: short stacking energy: -348.497
Base-Backbone interact. energy: 3.131
local terms energy: -372.816693
where:
bonds (distance) C4'-P energy: -69.840
bonds (distance) P-C4' energy: -72.043
flat angles C4'-P-C4' energy: -82.939
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -96.823
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: 404
Temperature: 1.100000
Total energy: -1192.273269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.273269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.273269 (E_RNA)
where:
Base-Base interactions energy: -796.853
where: short stacking energy: -353.035
Base-Backbone interact. energy: 1.630
local terms energy: -397.050942
where:
bonds (distance) C4'-P energy: -75.759
bonds (distance) P-C4' energy: -66.743
flat angles C4'-P-C4' energy: -88.829
flat angles P-C4'-P energy: -60.431
tors. eta vs tors. theta energy: -105.290
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: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1081.323724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.323724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.323724 (E_RNA)
where:
Base-Base interactions energy: -737.111
where: short stacking energy: -310.187
Base-Backbone interact. energy: -1.566
local terms energy: -342.646745
where:
bonds (distance) C4'-P energy: -66.543
bonds (distance) P-C4' energy: -66.061
flat angles C4'-P-C4' energy: -74.110
flat angles P-C4'-P energy: -52.056
tors. eta vs tors. theta energy: -83.878
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: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -686.122086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.122086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.122086 (E_RNA)
where:
Base-Base interactions energy: -399.700
where: short stacking energy: -203.675
Base-Backbone interact. energy: 1.196
local terms energy: -287.618437
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -71.556
flat angles C4'-P-C4' energy: -72.240
flat angles P-C4'-P energy: -41.924
tors. eta vs tors. theta energy: -35.309
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -621.129618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.129618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.129618 (E_RNA)
where:
Base-Base interactions energy: -360.540
where: short stacking energy: -168.955
Base-Backbone interact. energy: -2.011
local terms energy: -258.578431
where:
bonds (distance) C4'-P energy: -63.715
bonds (distance) P-C4' energy: -76.796
flat angles C4'-P-C4' energy: -67.761
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -25.778
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: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -429.953525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.953525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.953525 (E_RNA)
where:
Base-Base interactions energy: -217.626
where: short stacking energy: -105.333
Base-Backbone interact. energy: 0.177
local terms energy: -212.505061
where:
bonds (distance) C4'-P energy: -69.739
bonds (distance) P-C4' energy: -69.782
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: 9.894
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -326.286125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.286125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.286125 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -108.374
Base-Backbone interact. energy: 3.020
local terms energy: -216.284143
where:
bonds (distance) C4'-P energy: -71.564
bonds (distance) P-C4' energy: -81.169
flat angles C4'-P-C4' energy: -44.411
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -4.753
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: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1418.992132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.992132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.992132 (E_RNA)
where:
Base-Base interactions energy: -969.912
where: short stacking energy: -413.979
Base-Backbone interact. energy: 0.902
local terms energy: -449.981334
where:
bonds (distance) C4'-P energy: -80.282
bonds (distance) P-C4' energy: -81.450
flat angles C4'-P-C4' energy: -98.530
flat angles P-C4'-P energy: -59.810
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: 405
Temperature: 0.950000
Total energy: -1336.605421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.605421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.605421 (E_RNA)
where:
Base-Base interactions energy: -932.163
where: short stacking energy: -376.800
Base-Backbone interact. energy: 2.160
local terms energy: -406.602584
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -81.307
flat angles C4'-P-C4' energy: -89.522
flat angles P-C4'-P energy: -56.561
tors. eta vs tors. theta energy: -107.627
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: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1294.794955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.794955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.794955 (E_RNA)
where:
Base-Base interactions energy: -879.696
where: short stacking energy: -379.383
Base-Backbone interact. energy: -1.921
local terms energy: -413.178427
where:
bonds (distance) C4'-P energy: -79.948
bonds (distance) P-C4' energy: -75.604
flat angles C4'-P-C4' energy: -90.178
flat angles P-C4'-P energy: -51.961
tors. eta vs tors. theta energy: -115.487
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: 405
Temperature: 1.050000
Total energy: -1201.669161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.669161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.669161 (E_RNA)
where:
Base-Base interactions energy: -813.310
where: short stacking energy: -332.234
Base-Backbone interact. energy: -1.763
local terms energy: -386.595768
where:
bonds (distance) C4'-P energy: -71.555
bonds (distance) P-C4' energy: -81.028
flat angles C4'-P-C4' energy: -84.384
flat angles P-C4'-P energy: -61.824
tors. eta vs tors. theta energy: -87.805
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: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1178.442200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.442200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.442200 (E_RNA)
where:
Base-Base interactions energy: -825.640
where: short stacking energy: -336.450
Base-Backbone interact. energy: -1.297
local terms energy: -351.505971
where:
bonds (distance) C4'-P energy: -67.033
bonds (distance) P-C4' energy: -66.746
flat angles C4'-P-C4' energy: -72.234
flat angles P-C4'-P energy: -46.689
tors. eta vs tors. theta energy: -98.804
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: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1085.383178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.383178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.383178 (E_RNA)
where:
Base-Base interactions energy: -720.630
where: short stacking energy: -291.132
Base-Backbone interact. energy: -1.284
local terms energy: -363.469060
where:
bonds (distance) C4'-P energy: -64.453
bonds (distance) P-C4' energy: -76.166
flat angles C4'-P-C4' energy: -82.854
flat angles P-C4'-P energy: -58.695
tors. eta vs tors. theta energy: -81.302
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: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -686.683670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.683670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.683670 (E_RNA)
where:
Base-Base interactions energy: -389.431
where: short stacking energy: -202.552
Base-Backbone interact. energy: -1.255
local terms energy: -295.997384
where:
bonds (distance) C4'-P energy: -65.173
bonds (distance) P-C4' energy: -70.691
flat angles C4'-P-C4' energy: -68.678
flat angles P-C4'-P energy: -45.805
tors. eta vs tors. theta energy: -45.650
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: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -485.104819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.104819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.104819 (E_RNA)
where:
Base-Base interactions energy: -236.788
where: short stacking energy: -143.052
Base-Backbone interact. energy: 0.975
local terms energy: -249.291947
where:
bonds (distance) C4'-P energy: -68.752
bonds (distance) P-C4' energy: -77.174
flat angles C4'-P-C4' energy: -56.513
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -17.159
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: 405
Temperature: 1.300000
Total energy: -572.457022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.457022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.457022 (E_RNA)
where:
Base-Base interactions energy: -325.450
where: short stacking energy: -158.492
Base-Backbone interact. energy: 10.031
local terms energy: -257.037272
where:
bonds (distance) C4'-P energy: -77.284
bonds (distance) P-C4' energy: -79.227
flat angles C4'-P-C4' energy: -57.357
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -4.873
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -313.616169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.616169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.616169 (E_RNA)
where:
Base-Base interactions energy: -125.842
where: short stacking energy: -73.746
Base-Backbone interact. energy: 3.436
local terms energy: -191.210584
where:
bonds (distance) C4'-P energy: -70.668
bonds (distance) P-C4' energy: -71.252
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: 23.409
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: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1397.058995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.058995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.058995 (E_RNA)
where:
Base-Base interactions energy: -947.281
where: short stacking energy: -407.410
Base-Backbone interact. energy: -2.537
local terms energy: -447.240156
where:
bonds (distance) C4'-P energy: -74.126
bonds (distance) P-C4' energy: -75.542
flat angles C4'-P-C4' energy: -91.117
flat angles P-C4'-P energy: -69.306
tors. eta vs tors. theta energy: -137.149
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: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1342.582917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.582917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.582917 (E_RNA)
where:
Base-Base interactions energy: -916.596
where: short stacking energy: -367.451
Base-Backbone interact. energy: -0.488
local terms energy: -425.498756
where:
bonds (distance) C4'-P energy: -79.678
bonds (distance) P-C4' energy: -76.856
flat angles C4'-P-C4' energy: -96.279
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -109.268
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: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1302.363796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.363796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.363796 (E_RNA)
where:
Base-Base interactions energy: -883.449
where: short stacking energy: -384.028
Base-Backbone interact. energy: -0.949
local terms energy: -417.965204
where:
bonds (distance) C4'-P energy: -66.885
bonds (distance) P-C4' energy: -82.284
flat angles C4'-P-C4' energy: -89.840
flat angles P-C4'-P energy: -60.767
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: 406
Temperature: 1.050000
Total energy: -1207.193981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.193981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.193981 (E_RNA)
where:
Base-Base interactions energy: -808.891
where: short stacking energy: -349.513
Base-Backbone interact. energy: -1.276
local terms energy: -397.026289
where:
bonds (distance) C4'-P energy: -84.861
bonds (distance) P-C4' energy: -68.224
flat angles C4'-P-C4' energy: -83.146
flat angles P-C4'-P energy: -50.743
tors. eta vs tors. theta energy: -110.052
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: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1180.018708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.018708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.018708 (E_RNA)
where:
Base-Base interactions energy: -789.687
where: short stacking energy: -342.018
Base-Backbone interact. energy: -1.652
local terms energy: -388.678986
where:
bonds (distance) C4'-P energy: -84.464
bonds (distance) P-C4' energy: -64.074
flat angles C4'-P-C4' energy: -86.662
flat angles P-C4'-P energy: -51.916
tors. eta vs tors. theta energy: -101.562
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: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1097.301285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.301285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.301285 (E_RNA)
where:
Base-Base interactions energy: -748.760
where: short stacking energy: -307.440
Base-Backbone interact. energy: 1.083
local terms energy: -349.623823
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -79.607
flat angles C4'-P-C4' energy: -81.371
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -87.573
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: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -695.542840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.542840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.542840 (E_RNA)
where:
Base-Base interactions energy: -400.768
where: short stacking energy: -207.189
Base-Backbone interact. energy: -0.523
local terms energy: -294.251797
where:
bonds (distance) C4'-P energy: -73.851
bonds (distance) P-C4' energy: -61.898
flat angles C4'-P-C4' energy: -63.287
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -51.125
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -484.603146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.603146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.603146 (E_RNA)
where:
Base-Base interactions energy: -231.948
where: short stacking energy: -151.268
Base-Backbone interact. energy: 0.274
local terms energy: -252.929393
where:
bonds (distance) C4'-P energy: -72.168
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -15.715
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: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -556.400538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.400538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.400538 (E_RNA)
where:
Base-Base interactions energy: -305.169
where: short stacking energy: -142.252
Base-Backbone interact. energy: -2.593
local terms energy: -248.638458
where:
bonds (distance) C4'-P energy: -66.299
bonds (distance) P-C4' energy: -73.587
flat angles C4'-P-C4' energy: -49.584
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -20.587
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: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -338.192742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.192742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.192742 (E_RNA)
where:
Base-Base interactions energy: -133.484
where: short stacking energy: -91.915
Base-Backbone interact. energy: -0.127
local terms energy: -204.581612
where:
bonds (distance) C4'-P energy: -76.925
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -52.838
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: 16.487
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: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1418.919400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.919400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.919400 (E_RNA)
where:
Base-Base interactions energy: -985.717
where: short stacking energy: -409.597
Base-Backbone interact. energy: -1.120
local terms energy: -432.082204
where:
bonds (distance) C4'-P energy: -78.298
bonds (distance) P-C4' energy: -75.523
flat angles C4'-P-C4' energy: -93.438
flat angles P-C4'-P energy: -52.640
tors. eta vs tors. theta energy: -132.184
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1333.667078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.667078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.667078 (E_RNA)
where:
Base-Base interactions energy: -907.304
where: short stacking energy: -379.928
Base-Backbone interact. energy: 0.887
local terms energy: -427.250238
where:
bonds (distance) C4'-P energy: -74.494
bonds (distance) P-C4' energy: -78.478
flat angles C4'-P-C4' energy: -92.559
flat angles P-C4'-P energy: -63.092
tors. eta vs tors. theta energy: -118.627
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: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1309.576390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.576390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.576390 (E_RNA)
where:
Base-Base interactions energy: -906.132
where: short stacking energy: -365.668
Base-Backbone interact. energy: 0.313
local terms energy: -403.756854
where:
bonds (distance) C4'-P energy: -77.155
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -85.736
flat angles P-C4'-P energy: -62.779
tors. eta vs tors. theta energy: -114.213
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: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1189.806423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.806423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.806423 (E_RNA)
where:
Base-Base interactions energy: -792.520
where: short stacking energy: -341.361
Base-Backbone interact. energy: -4.432
local terms energy: -392.854083
where:
bonds (distance) C4'-P energy: -67.027
bonds (distance) P-C4' energy: -84.002
flat angles C4'-P-C4' energy: -81.304
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -102.520
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: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1177.860742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.860742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.860742 (E_RNA)
where:
Base-Base interactions energy: -818.958
where: short stacking energy: -356.482
Base-Backbone interact. energy: -1.845
local terms energy: -357.058106
where:
bonds (distance) C4'-P energy: -68.933
bonds (distance) P-C4' energy: -66.416
flat angles C4'-P-C4' energy: -70.646
flat angles P-C4'-P energy: -47.166
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: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1053.389736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.389736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.389736 (E_RNA)
where:
Base-Base interactions energy: -713.349
where: short stacking energy: -291.741
Base-Backbone interact. energy: -2.153
local terms energy: -337.888107
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -82.040
flat angles C4'-P-C4' energy: -72.423
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -89.670
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: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -603.787119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.787119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.787119 (E_RNA)
where:
Base-Base interactions energy: -347.787
where: short stacking energy: -169.224
Base-Backbone interact. energy: -2.098
local terms energy: -253.901522
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -73.010
flat angles C4'-P-C4' energy: -78.302
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -12.163
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: 407
Temperature: 1.250000
Total energy: -586.184664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.184664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.184664 (E_RNA)
where:
Base-Base interactions energy: -317.683
where: short stacking energy: -147.777
Base-Backbone interact. energy: 2.226
local terms energy: -270.727714
where:
bonds (distance) C4'-P energy: -59.500
bonds (distance) P-C4' energy: -70.162
flat angles C4'-P-C4' energy: -72.615
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -24.199
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: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -425.160425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.160425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.160425 (E_RNA)
where:
Base-Base interactions energy: -206.516
where: short stacking energy: -131.262
Base-Backbone interact. energy: 1.580
local terms energy: -220.223912
where:
bonds (distance) C4'-P energy: -61.644
bonds (distance) P-C4' energy: -69.082
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -0.040
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: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -308.130384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.130384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.130384 (E_RNA)
where:
Base-Base interactions energy: -107.906
where: short stacking energy: -86.890
Base-Backbone interact. energy: 3.826
local terms energy: -204.050097
where:
bonds (distance) C4'-P energy: -73.565
bonds (distance) P-C4' energy: -68.930
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: 25.557
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: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1389.231999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.231999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.231999 (E_RNA)
where:
Base-Base interactions energy: -950.130
where: short stacking energy: -406.516
Base-Backbone interact. energy: -1.263
local terms energy: -437.838475
where:
bonds (distance) C4'-P energy: -78.172
bonds (distance) P-C4' energy: -85.402
flat angles C4'-P-C4' energy: -92.467
flat angles P-C4'-P energy: -61.603
tors. eta vs tors. theta energy: -120.194
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1369.181756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.181756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.181756 (E_RNA)
where:
Base-Base interactions energy: -948.177
where: short stacking energy: -384.989
Base-Backbone interact. energy: -2.409
local terms energy: -418.596188
where:
bonds (distance) C4'-P energy: -81.499
bonds (distance) P-C4' energy: -78.634
flat angles C4'-P-C4' energy: -89.722
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -114.999
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: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1299.607769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.607769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.607769 (E_RNA)
where:
Base-Base interactions energy: -888.475
where: short stacking energy: -381.415
Base-Backbone interact. energy: 2.180
local terms energy: -413.312292
where:
bonds (distance) C4'-P energy: -79.213
bonds (distance) P-C4' energy: -79.571
flat angles C4'-P-C4' energy: -84.903
flat angles P-C4'-P energy: -57.883
tors. eta vs tors. theta energy: -111.743
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: 408
Temperature: 1.050000
Total energy: -1224.455009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.455009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.455009 (E_RNA)
where:
Base-Base interactions energy: -844.741
where: short stacking energy: -350.860
Base-Backbone interact. energy: -2.765
local terms energy: -376.948644
where:
bonds (distance) C4'-P energy: -61.892
bonds (distance) P-C4' energy: -75.143
flat angles C4'-P-C4' energy: -78.660
flat angles P-C4'-P energy: -56.196
tors. eta vs tors. theta energy: -105.057
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: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1171.257612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.257612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.257612 (E_RNA)
where:
Base-Base interactions energy: -800.575
where: short stacking energy: -334.797
Base-Backbone interact. energy: -2.409
local terms energy: -368.273667
where:
bonds (distance) C4'-P energy: -68.986
bonds (distance) P-C4' energy: -64.996
flat angles C4'-P-C4' energy: -73.148
flat angles P-C4'-P energy: -56.151
tors. eta vs tors. theta energy: -104.993
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1079.560288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.560288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.560288 (E_RNA)
where:
Base-Base interactions energy: -743.366
where: short stacking energy: -317.478
Base-Backbone interact. energy: -0.822
local terms energy: -335.373104
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -80.332
flat angles C4'-P-C4' energy: -73.585
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -92.152
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: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -671.192295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.192295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.192295 (E_RNA)
where:
Base-Base interactions energy: -398.691
where: short stacking energy: -179.821
Base-Backbone interact. energy: 0.510
local terms energy: -273.011636
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -63.287
flat angles P-C4'-P energy: -34.996
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: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -603.414489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.414489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.414489 (E_RNA)
where:
Base-Base interactions energy: -347.619
where: short stacking energy: -186.631
Base-Backbone interact. energy: -0.804
local terms energy: -254.991066
where:
bonds (distance) C4'-P energy: -66.871
bonds (distance) P-C4' energy: -68.455
flat angles C4'-P-C4' energy: -71.039
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -14.557
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: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -428.115312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.115312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.115312 (E_RNA)
where:
Base-Base interactions energy: -224.967
where: short stacking energy: -98.123
Base-Backbone interact. energy: 2.710
local terms energy: -205.858306
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -66.623
flat angles C4'-P-C4' energy: -58.537
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -3.620
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -338.975671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.975671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.975671 (E_RNA)
where:
Base-Base interactions energy: -133.653
where: short stacking energy: -93.136
Base-Backbone interact. energy: -0.107
local terms energy: -205.215609
where:
bonds (distance) C4'-P energy: -59.831
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -61.554
flat angles P-C4'-P energy: -32.829
tors. eta vs tors. theta energy: 2.765
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: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1384.499220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.499220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.499220 (E_RNA)
where:
Base-Base interactions energy: -965.838
where: short stacking energy: -404.586
Base-Backbone interact. energy: -1.752
local terms energy: -416.909017
where:
bonds (distance) C4'-P energy: -87.583
bonds (distance) P-C4' energy: -78.813
flat angles C4'-P-C4' energy: -83.634
flat angles P-C4'-P energy: -51.404
tors. eta vs tors. theta energy: -115.475
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: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1378.361558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.361558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.361558 (E_RNA)
where:
Base-Base interactions energy: -933.984
where: short stacking energy: -384.986
Base-Backbone interact. energy: -0.558
local terms energy: -443.819766
where:
bonds (distance) C4'-P energy: -71.237
bonds (distance) P-C4' energy: -85.894
flat angles C4'-P-C4' energy: -94.056
flat angles P-C4'-P energy: -61.637
tors. eta vs tors. theta energy: -130.995
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: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1279.724276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.724276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.724276 (E_RNA)
where:
Base-Base interactions energy: -878.249
where: short stacking energy: -355.481
Base-Backbone interact. energy: -1.488
local terms energy: -399.988099
where:
bonds (distance) C4'-P energy: -78.812
bonds (distance) P-C4' energy: -84.121
flat angles C4'-P-C4' energy: -75.408
flat angles P-C4'-P energy: -62.019
tors. eta vs tors. theta energy: -99.628
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: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1181.825215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.825215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.825215 (E_RNA)
where:
Base-Base interactions energy: -778.449
where: short stacking energy: -363.801
Base-Backbone interact. energy: -2.087
local terms energy: -401.289400
where:
bonds (distance) C4'-P energy: -69.057
bonds (distance) P-C4' energy: -85.539
flat angles C4'-P-C4' energy: -84.170
flat angles P-C4'-P energy: -57.763
tors. eta vs tors. theta energy: -104.760
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: 409
Temperature: 1.100000
Total energy: -1167.515107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.515107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.515107 (E_RNA)
where:
Base-Base interactions energy: -796.651
where: short stacking energy: -339.654
Base-Backbone interact. energy: -1.278
local terms energy: -369.586249
where:
bonds (distance) C4'-P energy: -70.692
bonds (distance) P-C4' energy: -65.129
flat angles C4'-P-C4' energy: -72.876
flat angles P-C4'-P energy: -60.490
tors. eta vs tors. theta energy: -100.399
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: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1071.374478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.374478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.374478 (E_RNA)
where:
Base-Base interactions energy: -706.515
where: short stacking energy: -276.971
Base-Backbone interact. energy: -3.084
local terms energy: -361.775413
where:
bonds (distance) C4'-P energy: -71.829
bonds (distance) P-C4' energy: -85.044
flat angles C4'-P-C4' energy: -83.161
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: -75.704
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: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -648.881984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.881984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.881984 (E_RNA)
where:
Base-Base interactions energy: -373.723
where: short stacking energy: -175.814
Base-Backbone interact. energy: 5.273
local terms energy: -280.432560
where:
bonds (distance) C4'-P energy: -62.271
bonds (distance) P-C4' energy: -74.442
flat angles C4'-P-C4' energy: -72.477
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -28.282
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: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -473.540636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.540636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.540636 (E_RNA)
where:
Base-Base interactions energy: -220.553
where: short stacking energy: -124.869
Base-Backbone interact. energy: 0.564
local terms energy: -253.551648
where:
bonds (distance) C4'-P energy: -67.605
bonds (distance) P-C4' energy: -66.416
flat angles C4'-P-C4' energy: -70.302
flat angles P-C4'-P energy: -40.447
tors. eta vs tors. theta energy: -8.780
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: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -528.003147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.003147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.003147 (E_RNA)
where:
Base-Base interactions energy: -285.291
where: short stacking energy: -149.750
Base-Backbone interact. energy: 2.200
local terms energy: -244.912007
where:
bonds (distance) C4'-P energy: -61.896
bonds (distance) P-C4' energy: -60.331
flat angles C4'-P-C4' energy: -70.588
flat angles P-C4'-P energy: -32.480
tors. eta vs tors. theta energy: -19.617
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: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -309.679944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.679944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.679944 (E_RNA)
where:
Base-Base interactions energy: -120.897
where: short stacking energy: -73.250
Base-Backbone interact. energy: -1.500
local terms energy: -187.283504
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -66.059
flat angles C4'-P-C4' energy: -49.568
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: 29.400
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: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1395.331469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.331469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.331469 (E_RNA)
where:
Base-Base interactions energy: -958.835
where: short stacking energy: -375.918
Base-Backbone interact. energy: -0.306
local terms energy: -436.191099
where:
bonds (distance) C4'-P energy: -82.417
bonds (distance) P-C4' energy: -80.031
flat angles C4'-P-C4' energy: -96.185
flat angles P-C4'-P energy: -56.936
tors. eta vs tors. theta energy: -120.623
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: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1362.091672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.091672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.091672 (E_RNA)
where:
Base-Base interactions energy: -927.735
where: short stacking energy: -391.961
Base-Backbone interact. energy: -0.921
local terms energy: -433.436080
where:
bonds (distance) C4'-P energy: -76.295
bonds (distance) P-C4' energy: -76.406
flat angles C4'-P-C4' energy: -93.163
flat angles P-C4'-P energy: -67.208
tors. eta vs tors. theta energy: -120.363
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: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1297.463140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.463140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.463140 (E_RNA)
where:
Base-Base interactions energy: -905.483
where: short stacking energy: -381.239
Base-Backbone interact. energy: -2.695
local terms energy: -389.285200
where:
bonds (distance) C4'-P energy: -69.412
bonds (distance) P-C4' energy: -70.139
flat angles C4'-P-C4' energy: -84.763
flat angles P-C4'-P energy: -57.513
tors. eta vs tors. theta energy: -107.458
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: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1187.962329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.962329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.962329 (E_RNA)
where:
Base-Base interactions energy: -792.112
where: short stacking energy: -335.028
Base-Backbone interact. energy: -3.606
local terms energy: -392.244066
where:
bonds (distance) C4'-P energy: -75.780
bonds (distance) P-C4' energy: -78.769
flat angles C4'-P-C4' energy: -85.457
flat angles P-C4'-P energy: -50.032
tors. eta vs tors. theta energy: -102.206
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: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1171.157741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.157741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.157741 (E_RNA)
where:
Base-Base interactions energy: -791.843
where: short stacking energy: -334.950
Base-Backbone interact. energy: -1.041
local terms energy: -378.274004
where:
bonds (distance) C4'-P energy: -65.729
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -89.807
flat angles P-C4'-P energy: -52.109
tors. eta vs tors. theta energy: -106.756
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: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1078.861641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.861641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.861641 (E_RNA)
where:
Base-Base interactions energy: -749.594
where: short stacking energy: -309.125
Base-Backbone interact. energy: -0.316
local terms energy: -328.952285
where:
bonds (distance) C4'-P energy: -66.126
bonds (distance) P-C4' energy: -65.720
flat angles C4'-P-C4' energy: -69.945
flat angles P-C4'-P energy: -46.099
tors. eta vs tors. theta energy: -81.063
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: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -675.821088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.821088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.821088 (E_RNA)
where:
Base-Base interactions energy: -388.437
where: short stacking energy: -198.822
Base-Backbone interact. energy: -0.263
local terms energy: -287.121056
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -76.652
flat angles C4'-P-C4' energy: -73.446
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: -34.138
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: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -447.357886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.357886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.357886 (E_RNA)
where:
Base-Base interactions energy: -192.648
where: short stacking energy: -112.089
Base-Backbone interact. energy: -0.177
local terms energy: -254.532564
where:
bonds (distance) C4'-P energy: -63.747
bonds (distance) P-C4' energy: -65.650
flat angles C4'-P-C4' energy: -66.236
flat angles P-C4'-P energy: -47.916
tors. eta vs tors. theta energy: -10.985
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: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -519.498796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.498796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.498796 (E_RNA)
where:
Base-Base interactions energy: -286.414
where: short stacking energy: -138.098
Base-Backbone interact. energy: -0.866
local terms energy: -232.219021
where:
bonds (distance) C4'-P energy: -69.614
bonds (distance) P-C4' energy: -69.943
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -7.477
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: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -324.426109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.426109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.426109 (E_RNA)
where:
Base-Base interactions energy: -107.604
where: short stacking energy: -100.708
Base-Backbone interact. energy: 4.874
local terms energy: -221.695989
where:
bonds (distance) C4'-P energy: -65.035
bonds (distance) P-C4' energy: -73.862
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -35.421
tors. eta vs tors. theta energy: 4.140
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: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1401.305591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.305591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.305591 (E_RNA)
where:
Base-Base interactions energy: -964.859
where: short stacking energy: -410.743
Base-Backbone interact. energy: -1.113
local terms energy: -435.333607
where:
bonds (distance) C4'-P energy: -89.861
bonds (distance) P-C4' energy: -72.432
flat angles C4'-P-C4' energy: -88.655
flat angles P-C4'-P energy: -62.047
tors. eta vs tors. theta energy: -122.340
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: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1344.129770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.129770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.129770 (E_RNA)
where:
Base-Base interactions energy: -947.189
where: short stacking energy: -378.657
Base-Backbone interact. energy: -0.898
local terms energy: -396.042005
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -77.647
flat angles C4'-P-C4' energy: -83.963
flat angles P-C4'-P energy: -61.253
tors. eta vs tors. theta energy: -113.006
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: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1310.969008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.969008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.969008 (E_RNA)
where:
Base-Base interactions energy: -901.831
where: short stacking energy: -380.997
Base-Backbone interact. energy: -0.764
local terms energy: -408.373679
where:
bonds (distance) C4'-P energy: -75.425
bonds (distance) P-C4' energy: -71.802
flat angles C4'-P-C4' energy: -89.881
flat angles P-C4'-P energy: -54.090
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: 411
Temperature: 1.050000
Total energy: -1200.177566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.177566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.177566 (E_RNA)
where:
Base-Base interactions energy: -834.190
where: short stacking energy: -373.478
Base-Backbone interact. energy: -1.232
local terms energy: -364.756471
where:
bonds (distance) C4'-P energy: -67.688
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -81.671
flat angles P-C4'-P energy: -46.280
tors. eta vs tors. theta energy: -108.139
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1169.264935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.264935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.264935 (E_RNA)
where:
Base-Base interactions energy: -792.363
where: short stacking energy: -345.820
Base-Backbone interact. energy: 3.534
local terms energy: -380.436450
where:
bonds (distance) C4'-P energy: -69.672
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -79.874
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -107.780
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: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1111.625077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.625077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.625077 (E_RNA)
where:
Base-Base interactions energy: -758.341
where: short stacking energy: -308.696
Base-Backbone interact. energy: -1.268
local terms energy: -352.016041
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -70.281
flat angles C4'-P-C4' energy: -83.244
flat angles P-C4'-P energy: -58.135
tors. eta vs tors. theta energy: -87.568
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: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -697.098026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.098026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.098026 (E_RNA)
where:
Base-Base interactions energy: -391.832
where: short stacking energy: -199.557
Base-Backbone interact. energy: -1.229
local terms energy: -304.037201
where:
bonds (distance) C4'-P energy: -68.752
bonds (distance) P-C4' energy: -80.950
flat angles C4'-P-C4' energy: -69.584
flat angles P-C4'-P energy: -46.902
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: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -556.001178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.001178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.001178 (E_RNA)
where:
Base-Base interactions energy: -309.042
where: short stacking energy: -158.423
Base-Backbone interact. energy: -2.020
local terms energy: -244.939167
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -83.676
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -18.471
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: 9, replica: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -417.807406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.807406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.807406 (E_RNA)
where:
Base-Base interactions energy: -181.302
where: short stacking energy: -124.568
Base-Backbone interact. energy: 2.632
local terms energy: -239.137543
where:
bonds (distance) C4'-P energy: -63.789
bonds (distance) P-C4' energy: -73.861
flat angles C4'-P-C4' energy: -61.674
flat angles P-C4'-P energy: -41.923
tors. eta vs tors. theta energy: 2.110
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: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -301.964827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.964827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.964827 (E_RNA)
where:
Base-Base interactions energy: -105.038
where: short stacking energy: -62.226
Base-Backbone interact. energy: -1.423
local terms energy: -195.503592
where:
bonds (distance) C4'-P energy: -56.414
bonds (distance) P-C4' energy: -69.657
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: 20.618
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: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1377.733354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.733354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.733354 (E_RNA)
where:
Base-Base interactions energy: -960.327
where: short stacking energy: -401.219
Base-Backbone interact. energy: -1.909
local terms energy: -415.497254
where:
bonds (distance) C4'-P energy: -64.136
bonds (distance) P-C4' energy: -67.575
flat angles C4'-P-C4' energy: -89.333
flat angles P-C4'-P energy: -68.146
tors. eta vs tors. theta energy: -126.308
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: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1379.071585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.071585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.071585 (E_RNA)
where:
Base-Base interactions energy: -957.009
where: short stacking energy: -393.135
Base-Backbone interact. energy: -0.520
local terms energy: -421.542922
where:
bonds (distance) C4'-P energy: -61.954
bonds (distance) P-C4' energy: -80.333
flat angles C4'-P-C4' energy: -91.030
flat angles P-C4'-P energy: -65.637
tors. eta vs tors. theta energy: -122.588
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: 412
Temperature: 1.000000
Total energy: -1292.302276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.302276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.302276 (E_RNA)
where:
Base-Base interactions energy: -889.487
where: short stacking energy: -363.983
Base-Backbone interact. energy: -3.198
local terms energy: -399.616988
where:
bonds (distance) C4'-P energy: -78.182
bonds (distance) P-C4' energy: -68.788
flat angles C4'-P-C4' energy: -86.200
flat angles P-C4'-P energy: -53.595
tors. eta vs tors. theta energy: -112.852
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1207.513029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.513029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.513029 (E_RNA)
where:
Base-Base interactions energy: -813.391
where: short stacking energy: -351.056
Base-Backbone interact. energy: -1.502
local terms energy: -392.619789
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -65.774
flat angles C4'-P-C4' energy: -87.456
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -115.467
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: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1163.804758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.804758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.804758 (E_RNA)
where:
Base-Base interactions energy: -802.066
where: short stacking energy: -357.820
Base-Backbone interact. energy: -1.540
local terms energy: -360.198547
where:
bonds (distance) C4'-P energy: -66.174
bonds (distance) P-C4' energy: -62.889
flat angles C4'-P-C4' energy: -76.523
flat angles P-C4'-P energy: -52.133
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: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1083.015125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.015125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.015125 (E_RNA)
where:
Base-Base interactions energy: -740.623
where: short stacking energy: -304.453
Base-Backbone interact. energy: 0.484
local terms energy: -342.875684
where:
bonds (distance) C4'-P energy: -63.422
bonds (distance) P-C4' energy: -64.473
flat angles C4'-P-C4' energy: -82.235
flat angles P-C4'-P energy: -47.453
tors. eta vs tors. theta energy: -85.293
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: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -684.793167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.793167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.793167 (E_RNA)
where:
Base-Base interactions energy: -408.229
where: short stacking energy: -201.830
Base-Backbone interact. energy: -1.273
local terms energy: -275.291204
where:
bonds (distance) C4'-P energy: -69.310
bonds (distance) P-C4' energy: -63.257
flat angles C4'-P-C4' energy: -79.294
flat angles P-C4'-P energy: -35.005
tors. eta vs tors. theta energy: -28.426
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: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -567.122068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.122068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.122068 (E_RNA)
where:
Base-Base interactions energy: -313.860
where: short stacking energy: -148.650
Base-Backbone interact. energy: -0.921
local terms energy: -252.341198
where:
bonds (distance) C4'-P energy: -65.553
bonds (distance) P-C4' energy: -69.414
flat angles C4'-P-C4' energy: -54.933
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -17.091
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: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -424.855771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.855771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.855771 (E_RNA)
where:
Base-Base interactions energy: -176.686
where: short stacking energy: -117.021
Base-Backbone interact. energy: 0.586
local terms energy: -248.756295
where:
bonds (distance) C4'-P energy: -61.437
bonds (distance) P-C4' energy: -68.310
flat angles C4'-P-C4' energy: -71.416
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -11.569
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: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -299.656947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.656947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.656947 (E_RNA)
where:
Base-Base interactions energy: -89.868
where: short stacking energy: -68.586
Base-Backbone interact. energy: 0.789
local terms energy: -210.578592
where:
bonds (distance) C4'-P energy: -72.268
bonds (distance) P-C4' energy: -80.001
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: 22.637
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: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1379.384161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.384161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.384161 (E_RNA)
where:
Base-Base interactions energy: -940.746
where: short stacking energy: -393.391
Base-Backbone interact. energy: -0.157
local terms energy: -438.480934
where:
bonds (distance) C4'-P energy: -85.057
bonds (distance) P-C4' energy: -80.381
flat angles C4'-P-C4' energy: -90.553
flat angles P-C4'-P energy: -61.202
tors. eta vs tors. theta energy: -121.288
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: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1389.179889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.179889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.179889 (E_RNA)
where:
Base-Base interactions energy: -944.045
where: short stacking energy: -391.102
Base-Backbone interact. energy: 1.246
local terms energy: -446.381624
where:
bonds (distance) C4'-P energy: -82.979
bonds (distance) P-C4' energy: -82.958
flat angles C4'-P-C4' energy: -89.507
flat angles P-C4'-P energy: -64.536
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: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1325.046842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.046842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.046842 (E_RNA)
where:
Base-Base interactions energy: -910.955
where: short stacking energy: -363.262
Base-Backbone interact. energy: -2.102
local terms energy: -411.989599
where:
bonds (distance) C4'-P energy: -78.638
bonds (distance) P-C4' energy: -64.604
flat angles C4'-P-C4' energy: -91.196
flat angles P-C4'-P energy: -65.713
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: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1193.129540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.129540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.129540 (E_RNA)
where:
Base-Base interactions energy: -813.539
where: short stacking energy: -320.625
Base-Backbone interact. energy: -0.919
local terms energy: -378.671951
where:
bonds (distance) C4'-P energy: -78.258
bonds (distance) P-C4' energy: -73.793
flat angles C4'-P-C4' energy: -71.913
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -107.034
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: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1170.606569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.606569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.606569 (E_RNA)
where:
Base-Base interactions energy: -798.831
where: short stacking energy: -345.927
Base-Backbone interact. energy: -2.047
local terms energy: -369.728608
where:
bonds (distance) C4'-P energy: -72.341
bonds (distance) P-C4' energy: -66.489
flat angles C4'-P-C4' energy: -75.957
flat angles P-C4'-P energy: -58.030
tors. eta vs tors. theta energy: -96.912
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1076.247258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.247258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.247258 (E_RNA)
where:
Base-Base interactions energy: -738.185
where: short stacking energy: -287.086
Base-Backbone interact. energy: 1.647
local terms energy: -339.709350
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -72.653
flat angles C4'-P-C4' energy: -75.968
flat angles P-C4'-P energy: -39.382
tors. eta vs tors. theta energy: -81.148
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: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -677.586761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.586761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.586761 (E_RNA)
where:
Base-Base interactions energy: -402.903
where: short stacking energy: -180.250
Base-Backbone interact. energy: 2.428
local terms energy: -277.111598
where:
bonds (distance) C4'-P energy: -61.320
bonds (distance) P-C4' energy: -75.770
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -46.502
tors. eta vs tors. theta energy: -24.331
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: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -561.670048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.670048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.670048 (E_RNA)
where:
Base-Base interactions energy: -304.189
where: short stacking energy: -157.374
Base-Backbone interact. energy: 0.198
local terms energy: -257.679367
where:
bonds (distance) C4'-P energy: -53.232
bonds (distance) P-C4' energy: -64.660
flat angles C4'-P-C4' energy: -76.670
flat angles P-C4'-P energy: -33.557
tors. eta vs tors. theta energy: -29.560
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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -393.061166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.061166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.061166 (E_RNA)
where:
Base-Base interactions energy: -188.955
where: short stacking energy: -98.738
Base-Backbone interact. energy: 2.544
local terms energy: -206.650758
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -59.819
flat angles C4'-P-C4' energy: -50.936
flat angles P-C4'-P energy: -30.401
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: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -310.786279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.786279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.786279 (E_RNA)
where:
Base-Base interactions energy: -98.920
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.657
local terms energy: -211.209146
where:
bonds (distance) C4'-P energy: -76.635
bonds (distance) P-C4' energy: -66.119
flat angles C4'-P-C4' energy: -53.789
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: 25.251
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1385.767928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.767928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.767928 (E_RNA)
where:
Base-Base interactions energy: -951.995
where: short stacking energy: -400.588
Base-Backbone interact. energy: -2.320
local terms energy: -431.453829
where:
bonds (distance) C4'-P energy: -80.463
bonds (distance) P-C4' energy: -76.765
flat angles C4'-P-C4' energy: -85.126
flat angles P-C4'-P energy: -68.447
tors. eta vs tors. theta energy: -120.653
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: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1383.303009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.303009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.303009 (E_RNA)
where:
Base-Base interactions energy: -945.207
where: short stacking energy: -393.555
Base-Backbone interact. energy: -2.285
local terms energy: -435.810177
where:
bonds (distance) C4'-P energy: -77.662
bonds (distance) P-C4' energy: -83.359
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -54.810
tors. eta vs tors. theta energy: -128.630
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: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1324.266362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.266362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.266362 (E_RNA)
where:
Base-Base interactions energy: -912.592
where: short stacking energy: -377.675
Base-Backbone interact. energy: -2.723
local terms energy: -408.951564
where:
bonds (distance) C4'-P energy: -72.700
bonds (distance) P-C4' energy: -69.066
flat angles C4'-P-C4' energy: -92.621
flat angles P-C4'-P energy: -61.921
tors. eta vs tors. theta energy: -112.643
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1231.567695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.567695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.567695 (E_RNA)
where:
Base-Base interactions energy: -843.398
where: short stacking energy: -357.858
Base-Backbone interact. energy: 1.383
local terms energy: -389.552863
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -75.976
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -115.055
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: 414
Temperature: 1.100000
Total energy: -1156.119933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.119933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.119933 (E_RNA)
where:
Base-Base interactions energy: -768.327
where: short stacking energy: -336.688
Base-Backbone interact. energy: -0.577
local terms energy: -387.216740
where:
bonds (distance) C4'-P energy: -68.708
bonds (distance) P-C4' energy: -77.841
flat angles C4'-P-C4' energy: -85.682
flat angles P-C4'-P energy: -58.746
tors. eta vs tors. theta energy: -96.240
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: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1107.614371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.614371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.614371 (E_RNA)
where:
Base-Base interactions energy: -782.314
where: short stacking energy: -320.875
Base-Backbone interact. energy: -1.103
local terms energy: -324.197853
where:
bonds (distance) C4'-P energy: -68.740
bonds (distance) P-C4' energy: -59.938
flat angles C4'-P-C4' energy: -72.196
flat angles P-C4'-P energy: -40.136
tors. eta vs tors. theta energy: -83.188
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -634.232588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.232588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.232588 (E_RNA)
where:
Base-Base interactions energy: -362.224
where: short stacking energy: -187.774
Base-Backbone interact. energy: -3.616
local terms energy: -268.392675
where:
bonds (distance) C4'-P energy: -67.107
bonds (distance) P-C4' energy: -66.164
flat angles C4'-P-C4' energy: -64.094
flat angles P-C4'-P energy: -36.439
tors. eta vs tors. theta energy: -34.589
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: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -588.778749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.778749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.778749 (E_RNA)
where:
Base-Base interactions energy: -338.012
where: short stacking energy: -153.412
Base-Backbone interact. energy: 5.482
local terms energy: -256.248576
where:
bonds (distance) C4'-P energy: -72.553
bonds (distance) P-C4' energy: -68.998
flat angles C4'-P-C4' energy: -66.749
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -15.579
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -407.206563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.206563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.206563 (E_RNA)
where:
Base-Base interactions energy: -195.583
where: short stacking energy: -113.125
Base-Backbone interact. energy: 0.385
local terms energy: -212.009261
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -58.978
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: 5.032
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: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -304.807711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.807711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.807711 (E_RNA)
where:
Base-Base interactions energy: -104.613
where: short stacking energy: -82.354
Base-Backbone interact. energy: 1.883
local terms energy: -202.078000
where:
bonds (distance) C4'-P energy: -73.619
bonds (distance) P-C4' energy: -59.162
flat angles C4'-P-C4' energy: -46.649
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: 5.665
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: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1402.330174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.330174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.330174 (E_RNA)
where:
Base-Base interactions energy: -956.032
where: short stacking energy: -408.948
Base-Backbone interact. energy: -0.417
local terms energy: -445.880801
where:
bonds (distance) C4'-P energy: -86.422
bonds (distance) P-C4' energy: -83.701
flat angles C4'-P-C4' energy: -93.169
flat angles P-C4'-P energy: -59.338
tors. eta vs tors. theta energy: -123.251
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: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1394.690280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.690280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.690280 (E_RNA)
where:
Base-Base interactions energy: -948.305
where: short stacking energy: -390.391
Base-Backbone interact. energy: 0.473
local terms energy: -446.858822
where:
bonds (distance) C4'-P energy: -79.944
bonds (distance) P-C4' energy: -85.139
flat angles C4'-P-C4' energy: -93.749
flat angles P-C4'-P energy: -61.729
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: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1361.128753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.128753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.128753 (E_RNA)
where:
Base-Base interactions energy: -931.338
where: short stacking energy: -377.182
Base-Backbone interact. energy: -3.765
local terms energy: -426.025747
where:
bonds (distance) C4'-P energy: -78.958
bonds (distance) P-C4' energy: -82.154
flat angles C4'-P-C4' energy: -90.123
flat angles P-C4'-P energy: -61.877
tors. eta vs tors. theta energy: -112.914
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: 415
Temperature: 1.050000
Total energy: -1214.290469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.290469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.290469 (E_RNA)
where:
Base-Base interactions energy: -837.754
where: short stacking energy: -364.228
Base-Backbone interact. energy: -1.843
local terms energy: -374.693361
where:
bonds (distance) C4'-P energy: -72.942
bonds (distance) P-C4' energy: -74.376
flat angles C4'-P-C4' energy: -75.697
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -110.973
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: 415
Temperature: 1.100000
Total energy: -1178.166551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.166551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.166551 (E_RNA)
where:
Base-Base interactions energy: -794.917
where: short stacking energy: -324.299
Base-Backbone interact. energy: -1.909
local terms energy: -381.340536
where:
bonds (distance) C4'-P energy: -61.626
bonds (distance) P-C4' energy: -89.351
flat angles C4'-P-C4' energy: -83.528
flat angles P-C4'-P energy: -53.544
tors. eta vs tors. theta energy: -93.291
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1116.028391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.028391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.028391 (E_RNA)
where:
Base-Base interactions energy: -779.378
where: short stacking energy: -322.854
Base-Backbone interact. energy: -0.757
local terms energy: -335.893495
where:
bonds (distance) C4'-P energy: -59.662
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -74.102
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -84.317
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: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -631.700839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.700839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.700839 (E_RNA)
where:
Base-Base interactions energy: -346.261
where: short stacking energy: -171.096
Base-Backbone interact. energy: 0.014
local terms energy: -285.453011
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -66.960
flat angles C4'-P-C4' energy: -76.932
flat angles P-C4'-P energy: -50.576
tors. eta vs tors. theta energy: -35.968
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: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -600.538376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.538376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.538376 (E_RNA)
where:
Base-Base interactions energy: -344.747
where: short stacking energy: -161.165
Base-Backbone interact. energy: 0.273
local terms energy: -256.063984
where:
bonds (distance) C4'-P energy: -63.698
bonds (distance) P-C4' energy: -73.957
flat angles C4'-P-C4' energy: -53.642
flat angles P-C4'-P energy: -44.417
tors. eta vs tors. theta energy: -20.350
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: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -434.176343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.176343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.176343 (E_RNA)
where:
Base-Base interactions energy: -204.658
where: short stacking energy: -120.894
Base-Backbone interact. energy: -2.566
local terms energy: -226.952326
where:
bonds (distance) C4'-P energy: -64.844
bonds (distance) P-C4' energy: -79.028
flat angles C4'-P-C4' energy: -58.672
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -2.001
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: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -317.807690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.807690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.807690 (E_RNA)
where:
Base-Base interactions energy: -109.577
where: short stacking energy: -86.077
Base-Backbone interact. energy: -2.098
local terms energy: -206.131917
where:
bonds (distance) C4'-P energy: -79.394
bonds (distance) P-C4' energy: -65.509
flat angles C4'-P-C4' energy: -53.748
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: 24.524
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: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1402.970132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.970132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.970132 (E_RNA)
where:
Base-Base interactions energy: -964.447
where: short stacking energy: -405.195
Base-Backbone interact. energy: -1.088
local terms energy: -437.434776
where:
bonds (distance) C4'-P energy: -84.428
bonds (distance) P-C4' energy: -72.103
flat angles C4'-P-C4' energy: -96.994
flat angles P-C4'-P energy: -65.558
tors. eta vs tors. theta energy: -118.352
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: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1352.624391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.624391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.624391 (E_RNA)
where:
Base-Base interactions energy: -917.263
where: short stacking energy: -388.661
Base-Backbone interact. energy: 0.327
local terms energy: -435.688051
where:
bonds (distance) C4'-P energy: -76.760
bonds (distance) P-C4' energy: -74.040
flat angles C4'-P-C4' energy: -94.037
flat angles P-C4'-P energy: -65.844
tors. eta vs tors. theta energy: -125.006
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: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1323.487590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.487590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.487590 (E_RNA)
where:
Base-Base interactions energy: -932.355
where: short stacking energy: -359.637
Base-Backbone interact. energy: 0.746
local terms energy: -391.879162
where:
bonds (distance) C4'-P energy: -63.964
bonds (distance) P-C4' energy: -78.284
flat angles C4'-P-C4' energy: -88.712
flat angles P-C4'-P energy: -50.995
tors. eta vs tors. theta energy: -109.925
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: 416
Temperature: 1.050000
Total energy: -1216.519945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.519945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.519945 (E_RNA)
where:
Base-Base interactions energy: -804.807
where: short stacking energy: -353.130
Base-Backbone interact. energy: -2.595
local terms energy: -409.117951
where:
bonds (distance) C4'-P energy: -73.722
bonds (distance) P-C4' energy: -81.618
flat angles C4'-P-C4' energy: -86.096
flat angles P-C4'-P energy: -56.143
tors. eta vs tors. theta energy: -111.539
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: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1172.658560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.658560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.658560 (E_RNA)
where:
Base-Base interactions energy: -791.587
where: short stacking energy: -323.760
Base-Backbone interact. energy: -1.355
local terms energy: -379.716973
where:
bonds (distance) C4'-P energy: -88.097
bonds (distance) P-C4' energy: -73.073
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -58.519
tors. eta vs tors. theta energy: -88.472
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1098.596056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.596056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.596056 (E_RNA)
where:
Base-Base interactions energy: -755.488
where: short stacking energy: -329.480
Base-Backbone interact. energy: 0.772
local terms energy: -343.880120
where:
bonds (distance) C4'-P energy: -64.731
bonds (distance) P-C4' energy: -66.976
flat angles C4'-P-C4' energy: -77.606
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: -90.118
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: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -675.939144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.939144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.939144 (E_RNA)
where:
Base-Base interactions energy: -385.150
where: short stacking energy: -185.358
Base-Backbone interact. energy: -0.682
local terms energy: -290.107628
where:
bonds (distance) C4'-P energy: -75.925
bonds (distance) P-C4' energy: -68.283
flat angles C4'-P-C4' energy: -68.615
flat angles P-C4'-P energy: -53.840
tors. eta vs tors. theta energy: -23.445
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: 416
Temperature: 1.250000
Total energy: -611.366406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.366406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.366406 (E_RNA)
where:
Base-Base interactions energy: -326.924
where: short stacking energy: -163.223
Base-Backbone interact. energy: 0.067
local terms energy: -284.508495
where:
bonds (distance) C4'-P energy: -63.223
bonds (distance) P-C4' energy: -73.894
flat angles C4'-P-C4' energy: -73.995
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -31.644
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: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -461.841957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.841957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.841957 (E_RNA)
where:
Base-Base interactions energy: -230.129
where: short stacking energy: -134.345
Base-Backbone interact. energy: 0.518
local terms energy: -232.230853
where:
bonds (distance) C4'-P energy: -76.018
bonds (distance) P-C4' energy: -73.325
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -3.470
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: 416
Temperature: 1.350000
Total energy: -331.198648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.198648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.198648 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -84.966
Base-Backbone interact. energy: -0.914
local terms energy: -203.966562
where:
bonds (distance) C4'-P energy: -63.060
bonds (distance) P-C4' energy: -71.901
flat angles C4'-P-C4' energy: -64.122
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: 21.651
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: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1397.072613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.072613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.072613 (E_RNA)
where:
Base-Base interactions energy: -961.441
where: short stacking energy: -408.223
Base-Backbone interact. energy: -1.578
local terms energy: -434.054265
where:
bonds (distance) C4'-P energy: -81.943
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -97.536
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -130.241
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1353.715522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.715522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.715522 (E_RNA)
where:
Base-Base interactions energy: -943.801
where: short stacking energy: -410.840
Base-Backbone interact. energy: 0.400
local terms energy: -410.314004
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -80.724
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -59.739
tors. eta vs tors. theta energy: -130.248
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1297.333367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.333367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.333367 (E_RNA)
where:
Base-Base interactions energy: -893.304
where: short stacking energy: -378.207
Base-Backbone interact. energy: -0.795
local terms energy: -403.234759
where:
bonds (distance) C4'-P energy: -75.980
bonds (distance) P-C4' energy: -76.408
flat angles C4'-P-C4' energy: -74.037
flat angles P-C4'-P energy: -58.809
tors. eta vs tors. theta energy: -118.001
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1257.476768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.476768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.476768 (E_RNA)
where:
Base-Base interactions energy: -845.277
where: short stacking energy: -372.950
Base-Backbone interact. energy: -1.417
local terms energy: -410.783327
where:
bonds (distance) C4'-P energy: -71.461
bonds (distance) P-C4' energy: -77.943
flat angles C4'-P-C4' energy: -86.380
flat angles P-C4'-P energy: -54.346
tors. eta vs tors. theta energy: -120.654
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1172.310377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.310377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.310377 (E_RNA)
where:
Base-Base interactions energy: -791.295
where: short stacking energy: -349.292
Base-Backbone interact. energy: -2.499
local terms energy: -378.515815
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -79.285
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -55.047
tors. eta vs tors. theta energy: -106.176
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: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1123.139750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.139750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.139750 (E_RNA)
where:
Base-Base interactions energy: -753.454
where: short stacking energy: -304.444
Base-Backbone interact. energy: -1.177
local terms energy: -368.508099
where:
bonds (distance) C4'-P energy: -78.406
bonds (distance) P-C4' energy: -73.571
flat angles C4'-P-C4' energy: -74.452
flat angles P-C4'-P energy: -58.119
tors. eta vs tors. theta energy: -83.960
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -679.841664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.841664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.841664 (E_RNA)
where:
Base-Base interactions energy: -413.535
where: short stacking energy: -210.327
Base-Backbone interact. energy: -1.700
local terms energy: -264.606697
where:
bonds (distance) C4'-P energy: -75.770
bonds (distance) P-C4' energy: -57.928
flat angles C4'-P-C4' energy: -57.340
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -36.060
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: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -498.081500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.081500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.081500 (E_RNA)
where:
Base-Base interactions energy: -239.429
where: short stacking energy: -132.930
Base-Backbone interact. energy: 0.111
local terms energy: -258.763594
where:
bonds (distance) C4'-P energy: -64.041
bonds (distance) P-C4' energy: -77.243
flat angles C4'-P-C4' energy: -59.559
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -12.748
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: 417
Temperature: 1.300000
Total energy: -493.657451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.657451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.657451 (E_RNA)
where:
Base-Base interactions energy: -286.205
where: short stacking energy: -164.227
Base-Backbone interact. energy: 0.809
local terms energy: -208.260685
where:
bonds (distance) C4'-P energy: -66.272
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -60.788
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -4.148
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: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -319.214366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.214366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.214366 (E_RNA)
where:
Base-Base interactions energy: -98.631
where: short stacking energy: -70.983
Base-Backbone interact. energy: -1.593
local terms energy: -218.990514
where:
bonds (distance) C4'-P energy: -59.393
bonds (distance) P-C4' energy: -83.898
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: 14.564
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: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1401.305955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.305955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.305955 (E_RNA)
where:
Base-Base interactions energy: -966.937
where: short stacking energy: -388.345
Base-Backbone interact. energy: -1.187
local terms energy: -433.182005
where:
bonds (distance) C4'-P energy: -83.863
bonds (distance) P-C4' energy: -78.165
flat angles C4'-P-C4' energy: -94.160
flat angles P-C4'-P energy: -53.810
tors. eta vs tors. theta energy: -123.184
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: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1331.524527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.524527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.524527 (E_RNA)
where:
Base-Base interactions energy: -900.679
where: short stacking energy: -385.050
Base-Backbone interact. energy: -0.674
local terms energy: -430.171362
where:
bonds (distance) C4'-P energy: -79.455
bonds (distance) P-C4' energy: -74.733
flat angles C4'-P-C4' energy: -87.147
flat angles P-C4'-P energy: -66.786
tors. eta vs tors. theta energy: -122.050
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: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1274.618235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.618235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.618235 (E_RNA)
where:
Base-Base interactions energy: -866.266
where: short stacking energy: -355.459
Base-Backbone interact. energy: -2.504
local terms energy: -405.848144
where:
bonds (distance) C4'-P energy: -74.728
bonds (distance) P-C4' energy: -75.459
flat angles C4'-P-C4' energy: -87.073
flat angles P-C4'-P energy: -65.788
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: 418
Temperature: 1.050000
Total energy: -1212.946084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.946084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.946084 (E_RNA)
where:
Base-Base interactions energy: -819.320
where: short stacking energy: -361.702
Base-Backbone interact. energy: -1.488
local terms energy: -392.138405
where:
bonds (distance) C4'-P energy: -79.414
bonds (distance) P-C4' energy: -77.831
flat angles C4'-P-C4' energy: -76.729
flat angles P-C4'-P energy: -39.714
tors. eta vs tors. theta energy: -118.451
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1180.028100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.028100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.028100 (E_RNA)
where:
Base-Base interactions energy: -805.404
where: short stacking energy: -349.449
Base-Backbone interact. energy: 3.749
local terms energy: -378.373104
where:
bonds (distance) C4'-P energy: -71.277
bonds (distance) P-C4' energy: -72.226
flat angles C4'-P-C4' energy: -81.863
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -109.243
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: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1108.718133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.718133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.718133 (E_RNA)
where:
Base-Base interactions energy: -772.140
where: short stacking energy: -308.136
Base-Backbone interact. energy: 2.338
local terms energy: -338.916307
where:
bonds (distance) C4'-P energy: -57.627
bonds (distance) P-C4' energy: -70.317
flat angles C4'-P-C4' energy: -75.389
flat angles P-C4'-P energy: -46.372
tors. eta vs tors. theta energy: -89.211
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: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -687.088392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.088392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.088392 (E_RNA)
where:
Base-Base interactions energy: -419.575
where: short stacking energy: -192.696
Base-Backbone interact. energy: -1.740
local terms energy: -265.773399
where:
bonds (distance) C4'-P energy: -62.673
bonds (distance) P-C4' energy: -54.874
flat angles C4'-P-C4' energy: -64.126
flat angles P-C4'-P energy: -45.977
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: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -509.058061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.058061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.058061 (E_RNA)
where:
Base-Base interactions energy: -273.980
where: short stacking energy: -144.618
Base-Backbone interact. energy: -2.132
local terms energy: -232.946218
where:
bonds (distance) C4'-P energy: -64.260
bonds (distance) P-C4' energy: -74.861
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -15.436
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: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -406.897643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.897643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.897643 (E_RNA)
where:
Base-Base interactions energy: -181.400
where: short stacking energy: -93.230
Base-Backbone interact. energy: -1.814
local terms energy: -223.683734
where:
bonds (distance) C4'-P energy: -72.186
bonds (distance) P-C4' energy: -58.510
flat angles C4'-P-C4' energy: -66.294
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: 11.776
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: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -317.582801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.582801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.582801 (E_RNA)
where:
Base-Base interactions energy: -89.512
where: short stacking energy: -80.449
Base-Backbone interact. energy: 2.794
local terms energy: -230.864725
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -61.664
flat angles C4'-P-C4' energy: -69.164
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: 3.201
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1408.510705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.510705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.510705 (E_RNA)
where:
Base-Base interactions energy: -980.638
where: short stacking energy: -398.676
Base-Backbone interact. energy: -0.312
local terms energy: -427.561111
where:
bonds (distance) C4'-P energy: -71.350
bonds (distance) P-C4' energy: -81.839
flat angles C4'-P-C4' energy: -86.610
flat angles P-C4'-P energy: -58.512
tors. eta vs tors. theta energy: -129.251
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: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1338.098142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.098142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.098142 (E_RNA)
where:
Base-Base interactions energy: -895.498
where: short stacking energy: -379.126
Base-Backbone interact. energy: -1.355
local terms energy: -441.245306
where:
bonds (distance) C4'-P energy: -89.346
bonds (distance) P-C4' energy: -77.784
flat angles C4'-P-C4' energy: -90.655
flat angles P-C4'-P energy: -65.858
tors. eta vs tors. theta energy: -117.603
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: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1271.770769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.770769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.770769 (E_RNA)
where:
Base-Base interactions energy: -884.542
where: short stacking energy: -361.279
Base-Backbone interact. energy: -0.292
local terms energy: -386.936590
where:
bonds (distance) C4'-P energy: -64.449
bonds (distance) P-C4' energy: -78.696
flat angles C4'-P-C4' energy: -85.396
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -106.774
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1225.301854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.301854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.301854 (E_RNA)
where:
Base-Base interactions energy: -836.570
where: short stacking energy: -365.783
Base-Backbone interact. energy: -0.395
local terms energy: -388.336754
where:
bonds (distance) C4'-P energy: -67.327
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -76.676
flat angles P-C4'-P energy: -57.420
tors. eta vs tors. theta energy: -120.296
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: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1157.913129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.913129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.913129 (E_RNA)
where:
Base-Base interactions energy: -780.151
where: short stacking energy: -353.345
Base-Backbone interact. energy: -1.666
local terms energy: -376.096024
where:
bonds (distance) C4'-P energy: -59.570
bonds (distance) P-C4' energy: -80.442
flat angles C4'-P-C4' energy: -79.883
flat angles P-C4'-P energy: -62.809
tors. eta vs tors. theta energy: -93.393
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: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1112.388927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.388927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.388927 (E_RNA)
where:
Base-Base interactions energy: -781.482
where: short stacking energy: -322.537
Base-Backbone interact. energy: -1.382
local terms energy: -329.525082
where:
bonds (distance) C4'-P energy: -64.119
bonds (distance) P-C4' energy: -62.068
flat angles C4'-P-C4' energy: -68.631
flat angles P-C4'-P energy: -52.686
tors. eta vs tors. theta energy: -82.021
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: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -728.954902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.954902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.954902 (E_RNA)
where:
Base-Base interactions energy: -426.429
where: short stacking energy: -200.228
Base-Backbone interact. energy: -4.123
local terms energy: -298.403192
where:
bonds (distance) C4'-P energy: -65.880
bonds (distance) P-C4' energy: -71.372
flat angles C4'-P-C4' energy: -79.411
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -34.141
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: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -454.730804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.730804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.730804 (E_RNA)
where:
Base-Base interactions energy: -206.800
where: short stacking energy: -132.665
Base-Backbone interact. energy: 0.258
local terms energy: -248.187991
where:
bonds (distance) C4'-P energy: -65.516
bonds (distance) P-C4' energy: -74.356
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -8.545
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: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -438.033315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.033315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.033315 (E_RNA)
where:
Base-Base interactions energy: -191.231
where: short stacking energy: -109.688
Base-Backbone interact. energy: 2.374
local terms energy: -249.176726
where:
bonds (distance) C4'-P energy: -62.616
bonds (distance) P-C4' energy: -64.917
flat angles C4'-P-C4' energy: -81.279
flat angles P-C4'-P energy: -37.811
tors. eta vs tors. theta energy: -2.555
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: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -305.341668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.341668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.341668 (E_RNA)
where:
Base-Base interactions energy: -120.628
where: short stacking energy: -91.767
Base-Backbone interact. energy: 1.214
local terms energy: -185.927898
where:
bonds (distance) C4'-P energy: -46.492
bonds (distance) P-C4' energy: -74.377
flat angles C4'-P-C4' energy: -45.812
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: 14.096
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: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1396.366649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.366649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.366649 (E_RNA)
where:
Base-Base interactions energy: -948.957
where: short stacking energy: -415.930
Base-Backbone interact. energy: -0.817
local terms energy: -446.591982
where:
bonds (distance) C4'-P energy: -85.568
bonds (distance) P-C4' energy: -75.949
flat angles C4'-P-C4' energy: -88.262
flat angles P-C4'-P energy: -65.040
tors. eta vs tors. theta energy: -131.773
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: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1347.577902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.577902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.577902 (E_RNA)
where:
Base-Base interactions energy: -919.967
where: short stacking energy: -386.478
Base-Backbone interact. energy: -0.009
local terms energy: -427.602096
where:
bonds (distance) C4'-P energy: -77.282
bonds (distance) P-C4' energy: -79.142
flat angles C4'-P-C4' energy: -89.701
flat angles P-C4'-P energy: -61.480
tors. eta vs tors. theta energy: -119.996
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1278.455759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.455759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.455759 (E_RNA)
where:
Base-Base interactions energy: -860.802
where: short stacking energy: -366.803
Base-Backbone interact. energy: -0.694
local terms energy: -416.959894
where:
bonds (distance) C4'-P energy: -69.668
bonds (distance) P-C4' energy: -84.423
flat angles C4'-P-C4' energy: -91.331
flat angles P-C4'-P energy: -50.563
tors. eta vs tors. theta energy: -120.976
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: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1240.381895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.381895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.381895 (E_RNA)
where:
Base-Base interactions energy: -849.743
where: short stacking energy: -352.918
Base-Backbone interact. energy: -0.063
local terms energy: -390.576091
where:
bonds (distance) C4'-P energy: -71.422
bonds (distance) P-C4' energy: -75.420
flat angles C4'-P-C4' energy: -85.270
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -101.163
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: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1204.190329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.190329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.190329 (E_RNA)
where:
Base-Base interactions energy: -797.201
where: short stacking energy: -338.057
Base-Backbone interact. energy: 2.110
local terms energy: -409.099495
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -86.543
flat angles C4'-P-C4' energy: -75.692
flat angles P-C4'-P energy: -62.993
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1133.818621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.818621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.818621 (E_RNA)
where:
Base-Base interactions energy: -772.165
where: short stacking energy: -316.156
Base-Backbone interact. energy: 0.382
local terms energy: -362.035856
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -75.929
flat angles C4'-P-C4' energy: -82.168
flat angles P-C4'-P energy: -54.268
tors. eta vs tors. theta energy: -88.213
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: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -758.681063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.681063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.681063 (E_RNA)
where:
Base-Base interactions energy: -462.407
where: short stacking energy: -224.045
Base-Backbone interact. energy: 2.781
local terms energy: -299.055104
where:
bonds (distance) C4'-P energy: -63.323
bonds (distance) P-C4' energy: -64.468
flat angles C4'-P-C4' energy: -68.852
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -58.669
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: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -507.672676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.672676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.672676 (E_RNA)
where:
Base-Base interactions energy: -274.261
where: short stacking energy: -154.008
Base-Backbone interact. energy: 1.073
local terms energy: -234.484969
where:
bonds (distance) C4'-P energy: -77.877
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -63.938
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -11.031
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -374.491243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.491243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.491243 (E_RNA)
where:
Base-Base interactions energy: -169.110
where: short stacking energy: -115.263
Base-Backbone interact. energy: -1.428
local terms energy: -203.953526
where:
bonds (distance) C4'-P energy: -65.229
bonds (distance) P-C4' energy: -56.709
flat angles C4'-P-C4' energy: -53.759
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: 5.799
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: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -404.612572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.612572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.612572 (E_RNA)
where:
Base-Base interactions energy: -184.586
where: short stacking energy: -85.647
Base-Backbone interact. energy: 0.987
local terms energy: -221.013771
where:
bonds (distance) C4'-P energy: -75.752
bonds (distance) P-C4' energy: -70.079
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -31.926
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: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1406.464200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.464200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.464200 (E_RNA)
where:
Base-Base interactions energy: -967.051
where: short stacking energy: -406.691
Base-Backbone interact. energy: -1.258
local terms energy: -438.155766
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -78.648
flat angles C4'-P-C4' energy: -85.997
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -125.787
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: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1384.140374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.140374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.140374 (E_RNA)
where:
Base-Base interactions energy: -956.371
where: short stacking energy: -401.077
Base-Backbone interact. energy: -1.556
local terms energy: -426.213430
where:
bonds (distance) C4'-P energy: -75.935
bonds (distance) P-C4' energy: -87.332
flat angles C4'-P-C4' energy: -83.287
flat angles P-C4'-P energy: -58.161
tors. eta vs tors. theta energy: -121.498
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1314.520855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.520855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.520855 (E_RNA)
where:
Base-Base interactions energy: -885.483
where: short stacking energy: -400.223
Base-Backbone interact. energy: -0.345
local terms energy: -428.692543
where:
bonds (distance) C4'-P energy: -77.885
bonds (distance) P-C4' energy: -70.000
flat angles C4'-P-C4' energy: -88.876
flat angles P-C4'-P energy: -68.948
tors. eta vs tors. theta energy: -122.984
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: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1231.126790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.126790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.126790 (E_RNA)
where:
Base-Base interactions energy: -835.875
where: short stacking energy: -372.086
Base-Backbone interact. energy: -2.432
local terms energy: -392.819533
where:
bonds (distance) C4'-P energy: -74.445
bonds (distance) P-C4' energy: -67.496
flat angles C4'-P-C4' energy: -80.887
flat angles P-C4'-P energy: -57.416
tors. eta vs tors. theta energy: -112.575
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: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1189.410579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.410579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.410579 (E_RNA)
where:
Base-Base interactions energy: -820.412
where: short stacking energy: -320.053
Base-Backbone interact. energy: -3.543
local terms energy: -365.455225
where:
bonds (distance) C4'-P energy: -71.894
bonds (distance) P-C4' energy: -71.548
flat angles C4'-P-C4' energy: -82.250
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -89.877
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1121.223523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.223523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.223523 (E_RNA)
where:
Base-Base interactions energy: -775.742
where: short stacking energy: -321.497
Base-Backbone interact. energy: -0.840
local terms energy: -344.641722
where:
bonds (distance) C4'-P energy: -61.664
bonds (distance) P-C4' energy: -51.119
flat angles C4'-P-C4' energy: -79.972
flat angles P-C4'-P energy: -61.918
tors. eta vs tors. theta energy: -89.969
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: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -737.553258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.553258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.553258 (E_RNA)
where:
Base-Base interactions energy: -430.370
where: short stacking energy: -208.210
Base-Backbone interact. energy: -1.384
local terms energy: -305.799167
where:
bonds (distance) C4'-P energy: -84.451
bonds (distance) P-C4' energy: -68.679
flat angles C4'-P-C4' energy: -67.599
flat angles P-C4'-P energy: -38.330
tors. eta vs tors. theta energy: -46.740
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: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -520.757540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.757540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.757540 (E_RNA)
where:
Base-Base interactions energy: -269.907
where: short stacking energy: -165.220
Base-Backbone interact. energy: 4.146
local terms energy: -254.996079
where:
bonds (distance) C4'-P energy: -53.031
bonds (distance) P-C4' energy: -67.826
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -37.391
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: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -420.871536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.871536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.871536 (E_RNA)
where:
Base-Base interactions energy: -186.296
where: short stacking energy: -97.579
Base-Backbone interact. energy: -0.520
local terms energy: -234.055124
where:
bonds (distance) C4'-P energy: -75.847
bonds (distance) P-C4' energy: -60.897
flat angles C4'-P-C4' energy: -58.017
flat angles P-C4'-P energy: -38.002
tors. eta vs tors. theta energy: -1.294
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -367.365806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.365806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.365806 (E_RNA)
where:
Base-Base interactions energy: -162.754
where: short stacking energy: -84.418
Base-Backbone interact. energy: 1.343
local terms energy: -205.955260
where:
bonds (distance) C4'-P energy: -66.473
bonds (distance) P-C4' energy: -69.712
flat angles C4'-P-C4' energy: -54.137
flat angles P-C4'-P energy: -31.957
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: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1407.813560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.813560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.813560 (E_RNA)
where:
Base-Base interactions energy: -965.877
where: short stacking energy: -394.720
Base-Backbone interact. energy: -0.077
local terms energy: -441.860034
where:
bonds (distance) C4'-P energy: -81.029
bonds (distance) P-C4' energy: -76.595
flat angles C4'-P-C4' energy: -94.880
flat angles P-C4'-P energy: -59.087
tors. eta vs tors. theta energy: -130.270
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: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1363.563818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.563818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.563818 (E_RNA)
where:
Base-Base interactions energy: -940.684
where: short stacking energy: -390.003
Base-Backbone interact. energy: -2.165
local terms energy: -420.714057
where:
bonds (distance) C4'-P energy: -77.011
bonds (distance) P-C4' energy: -78.959
flat angles C4'-P-C4' energy: -87.879
flat angles P-C4'-P energy: -58.424
tors. eta vs tors. theta energy: -118.441
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1279.201475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.201475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.201475 (E_RNA)
where:
Base-Base interactions energy: -847.691
where: short stacking energy: -370.056
Base-Backbone interact. energy: 1.639
local terms energy: -433.149405
where:
bonds (distance) C4'-P energy: -79.842
bonds (distance) P-C4' energy: -79.687
flat angles C4'-P-C4' energy: -87.918
flat angles P-C4'-P energy: -60.713
tors. eta vs tors. theta energy: -124.989
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: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1234.397332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.397332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.397332 (E_RNA)
where:
Base-Base interactions energy: -836.216
where: short stacking energy: -368.987
Base-Backbone interact. energy: -1.943
local terms energy: -396.238319
where:
bonds (distance) C4'-P energy: -70.322
bonds (distance) P-C4' energy: -70.814
flat angles C4'-P-C4' energy: -90.561
flat angles P-C4'-P energy: -52.154
tors. eta vs tors. theta energy: -112.388
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: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1187.921938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.921938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.921938 (E_RNA)
where:
Base-Base interactions energy: -817.813
where: short stacking energy: -347.896
Base-Backbone interact. energy: -1.663
local terms energy: -368.446050
where:
bonds (distance) C4'-P energy: -67.588
bonds (distance) P-C4' energy: -62.436
flat angles C4'-P-C4' energy: -74.421
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -108.497
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: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1125.529186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.529186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.529186 (E_RNA)
where:
Base-Base interactions energy: -798.214
where: short stacking energy: -322.384
Base-Backbone interact. energy: -0.659
local terms energy: -326.656408
where:
bonds (distance) C4'-P energy: -56.138
bonds (distance) P-C4' energy: -63.966
flat angles C4'-P-C4' energy: -78.352
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -92.549
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: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -729.671292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.671292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.671292 (E_RNA)
where:
Base-Base interactions energy: -442.254
where: short stacking energy: -202.988
Base-Backbone interact. energy: -1.339
local terms energy: -286.077597
where:
bonds (distance) C4'-P energy: -73.876
bonds (distance) P-C4' energy: -61.462
flat angles C4'-P-C4' energy: -63.777
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -45.679
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: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -495.644558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.644558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.644558 (E_RNA)
where:
Base-Base interactions energy: -263.546
where: short stacking energy: -160.196
Base-Backbone interact. energy: -2.993
local terms energy: -229.105084
where:
bonds (distance) C4'-P energy: -57.492
bonds (distance) P-C4' energy: -52.314
flat angles C4'-P-C4' energy: -61.205
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -22.734
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: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -411.710470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.710470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.710470 (E_RNA)
where:
Base-Base interactions energy: -178.234
where: short stacking energy: -106.451
Base-Backbone interact. energy: -1.502
local terms energy: -231.974848
where:
bonds (distance) C4'-P energy: -64.353
bonds (distance) P-C4' energy: -65.610
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -6.555
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: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -412.288078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.288078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.288078 (E_RNA)
where:
Base-Base interactions energy: -170.876
where: short stacking energy: -99.794
Base-Backbone interact. energy: -3.440
local terms energy: -237.972747
where:
bonds (distance) C4'-P energy: -77.996
bonds (distance) P-C4' energy: -66.654
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: 1.565
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: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1413.656241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.656241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.656241 (E_RNA)
where:
Base-Base interactions energy: -970.195
where: short stacking energy: -396.674
Base-Backbone interact. energy: -0.966
local terms energy: -442.495587
where:
bonds (distance) C4'-P energy: -87.489
bonds (distance) P-C4' energy: -72.837
flat angles C4'-P-C4' energy: -91.745
flat angles P-C4'-P energy: -60.726
tors. eta vs tors. theta energy: -129.699
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: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1340.252839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.252839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.252839 (E_RNA)
where:
Base-Base interactions energy: -932.224
where: short stacking energy: -379.028
Base-Backbone interact. energy: -1.902
local terms energy: -406.126448
where:
bonds (distance) C4'-P energy: -79.522
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -87.658
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -114.845
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1286.672744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.672744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.672744 (E_RNA)
where:
Base-Base interactions energy: -858.355
where: short stacking energy: -382.289
Base-Backbone interact. energy: -2.174
local terms energy: -426.143457
where:
bonds (distance) C4'-P energy: -72.589
bonds (distance) P-C4' energy: -78.088
flat angles C4'-P-C4' energy: -99.412
flat angles P-C4'-P energy: -57.976
tors. eta vs tors. theta energy: -118.079
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: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1233.437410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.437410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.437410 (E_RNA)
where:
Base-Base interactions energy: -862.536
where: short stacking energy: -339.831
Base-Backbone interact. energy: -1.626
local terms energy: -369.276163
where:
bonds (distance) C4'-P energy: -67.079
bonds (distance) P-C4' energy: -72.525
flat angles C4'-P-C4' energy: -79.074
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -105.997
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: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1161.899864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.899864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.899864 (E_RNA)
where:
Base-Base interactions energy: -773.801
where: short stacking energy: -332.169
Base-Backbone interact. energy: -2.947
local terms energy: -385.151518
where:
bonds (distance) C4'-P energy: -66.565
bonds (distance) P-C4' energy: -81.699
flat angles C4'-P-C4' energy: -80.599
flat angles P-C4'-P energy: -59.745
tors. eta vs tors. theta energy: -96.543
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: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1121.431765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.431765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.431765 (E_RNA)
where:
Base-Base interactions energy: -768.149
where: short stacking energy: -327.843
Base-Backbone interact. energy: 1.843
local terms energy: -355.125774
where:
bonds (distance) C4'-P energy: -55.459
bonds (distance) P-C4' energy: -75.079
flat angles C4'-P-C4' energy: -87.082
flat angles P-C4'-P energy: -41.473
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: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -686.869239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.869239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.869239 (E_RNA)
where:
Base-Base interactions energy: -412.138
where: short stacking energy: -191.935
Base-Backbone interact. energy: 0.022
local terms energy: -274.753507
where:
bonds (distance) C4'-P energy: -75.212
bonds (distance) P-C4' energy: -54.986
flat angles C4'-P-C4' energy: -74.534
flat angles P-C4'-P energy: -31.142
tors. eta vs tors. theta energy: -38.879
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: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -481.957832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.957832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.957832 (E_RNA)
where:
Base-Base interactions energy: -234.725
where: short stacking energy: -148.007
Base-Backbone interact. energy: -3.714
local terms energy: -243.518690
where:
bonds (distance) C4'-P energy: -72.146
bonds (distance) P-C4' energy: -64.452
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -17.215
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: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -463.388661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.388661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.388661 (E_RNA)
where:
Base-Base interactions energy: -211.890
where: short stacking energy: -123.812
Base-Backbone interact. energy: 1.350
local terms energy: -252.847964
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -64.531
flat angles C4'-P-C4' energy: -67.210
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: -10.224
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: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -405.120764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.120764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.120764 (E_RNA)
where:
Base-Base interactions energy: -192.116
where: short stacking energy: -112.210
Base-Backbone interact. energy: 2.015
local terms energy: -215.020082
where:
bonds (distance) C4'-P energy: -63.853
bonds (distance) P-C4' energy: -67.533
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -31.803
tors. eta vs tors. theta energy: 6.247
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: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1394.345097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.345097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.345097 (E_RNA)
where:
Base-Base interactions energy: -962.421
where: short stacking energy: -403.129
Base-Backbone interact. energy: -0.032
local terms energy: -431.891996
where:
bonds (distance) C4'-P energy: -76.632
bonds (distance) P-C4' energy: -71.954
flat angles C4'-P-C4' energy: -96.435
flat angles P-C4'-P energy: -56.228
tors. eta vs tors. theta energy: -130.644
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: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1330.240773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.240773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.240773 (E_RNA)
where:
Base-Base interactions energy: -924.176
where: short stacking energy: -371.493
Base-Backbone interact. energy: -0.907
local terms energy: -405.158208
where:
bonds (distance) C4'-P energy: -73.061
bonds (distance) P-C4' energy: -72.541
flat angles C4'-P-C4' energy: -88.380
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -112.041
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: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1274.877790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.877790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.877790 (E_RNA)
where:
Base-Base interactions energy: -850.463
where: short stacking energy: -374.621
Base-Backbone interact. energy: -0.954
local terms energy: -423.460860
where:
bonds (distance) C4'-P energy: -75.181
bonds (distance) P-C4' energy: -80.474
flat angles C4'-P-C4' energy: -91.847
flat angles P-C4'-P energy: -53.161
tors. eta vs tors. theta energy: -122.797
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: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1248.051101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.051101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.051101 (E_RNA)
where:
Base-Base interactions energy: -858.645
where: short stacking energy: -346.740
Base-Backbone interact. energy: -2.503
local terms energy: -386.902768
where:
bonds (distance) C4'-P energy: -75.169
bonds (distance) P-C4' energy: -79.351
flat angles C4'-P-C4' energy: -79.220
flat angles P-C4'-P energy: -50.815
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: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1177.568449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.568449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.568449 (E_RNA)
where:
Base-Base interactions energy: -819.663
where: short stacking energy: -322.296
Base-Backbone interact. energy: -1.446
local terms energy: -356.459405
where:
bonds (distance) C4'-P energy: -76.328
bonds (distance) P-C4' energy: -66.078
flat angles C4'-P-C4' energy: -84.256
flat angles P-C4'-P energy: -47.702
tors. eta vs tors. theta energy: -82.097
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1128.123102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.123102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.123102 (E_RNA)
where:
Base-Base interactions energy: -767.244
where: short stacking energy: -314.700
Base-Backbone interact. energy: -2.147
local terms energy: -358.731625
where:
bonds (distance) C4'-P energy: -77.606
bonds (distance) P-C4' energy: -64.540
flat angles C4'-P-C4' energy: -74.864
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -98.981
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: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -725.438875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.438875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.438875 (E_RNA)
where:
Base-Base interactions energy: -439.782
where: short stacking energy: -213.737
Base-Backbone interact. energy: -2.465
local terms energy: -283.191465
where:
bonds (distance) C4'-P energy: -66.377
bonds (distance) P-C4' energy: -81.570
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -37.343
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: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -503.198061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.198061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.198061 (E_RNA)
where:
Base-Base interactions energy: -249.811
where: short stacking energy: -114.553
Base-Backbone interact. energy: 0.088
local terms energy: -253.474734
where:
bonds (distance) C4'-P energy: -72.286
bonds (distance) P-C4' energy: -71.850
flat angles C4'-P-C4' energy: -61.689
flat angles P-C4'-P energy: -47.974
tors. eta vs tors. theta energy: 0.325
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: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -486.533874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.533874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.533874 (E_RNA)
where:
Base-Base interactions energy: -265.794
where: short stacking energy: -128.550
Base-Backbone interact. energy: 2.661
local terms energy: -223.400597
where:
bonds (distance) C4'-P energy: -65.640
bonds (distance) P-C4' energy: -61.777
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: 0.032
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: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -402.521129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.521129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.521129 (E_RNA)
where:
Base-Base interactions energy: -185.464
where: short stacking energy: -107.429
Base-Backbone interact. energy: -0.843
local terms energy: -216.214066
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -72.952
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -46.332
tors. eta vs tors. theta energy: 14.562
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: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1401.301471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.301471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.301471 (E_RNA)
where:
Base-Base interactions energy: -958.900
where: short stacking energy: -406.956
Base-Backbone interact. energy: 1.139
local terms energy: -443.540625
where:
bonds (distance) C4'-P energy: -80.555
bonds (distance) P-C4' energy: -77.219
flat angles C4'-P-C4' energy: -88.050
flat angles P-C4'-P energy: -67.186
tors. eta vs tors. theta energy: -130.531
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: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1329.067991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.067991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.067991 (E_RNA)
where:
Base-Base interactions energy: -934.399
where: short stacking energy: -379.637
Base-Backbone interact. energy: -2.502
local terms energy: -392.166937
where:
bonds (distance) C4'-P energy: -65.908
bonds (distance) P-C4' energy: -68.729
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -63.550
tors. eta vs tors. theta energy: -108.640
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: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1263.794376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.794376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.794376 (E_RNA)
where:
Base-Base interactions energy: -848.958
where: short stacking energy: -358.455
Base-Backbone interact. energy: -1.579
local terms energy: -413.256885
where:
bonds (distance) C4'-P energy: -72.194
bonds (distance) P-C4' energy: -81.486
flat angles C4'-P-C4' energy: -89.364
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -112.736
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1197.281984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.281984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.281984 (E_RNA)
where:
Base-Base interactions energy: -828.955
where: short stacking energy: -318.522
Base-Backbone interact. energy: -2.150
local terms energy: -366.177237
where:
bonds (distance) C4'-P energy: -80.334
bonds (distance) P-C4' energy: -66.903
flat angles C4'-P-C4' energy: -80.001
flat angles P-C4'-P energy: -51.963
tors. eta vs tors. theta energy: -86.975
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: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1205.654406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.654406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.654406 (E_RNA)
where:
Base-Base interactions energy: -817.803
where: short stacking energy: -332.775
Base-Backbone interact. energy: -2.694
local terms energy: -385.157873
where:
bonds (distance) C4'-P energy: -77.267
bonds (distance) P-C4' energy: -76.948
flat angles C4'-P-C4' energy: -87.789
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -104.076
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: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1114.222492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.222492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.222492 (E_RNA)
where:
Base-Base interactions energy: -770.109
where: short stacking energy: -314.567
Base-Backbone interact. energy: -1.696
local terms energy: -342.417978
where:
bonds (distance) C4'-P energy: -57.696
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -79.446
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -97.099
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -746.395051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.395051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.395051 (E_RNA)
where:
Base-Base interactions energy: -451.620
where: short stacking energy: -215.540
Base-Backbone interact. energy: -0.495
local terms energy: -294.279814
where:
bonds (distance) C4'-P energy: -63.670
bonds (distance) P-C4' energy: -68.346
flat angles C4'-P-C4' energy: -65.820
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -50.914
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: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -507.416869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.416869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.416869 (E_RNA)
where:
Base-Base interactions energy: -273.422
where: short stacking energy: -156.023
Base-Backbone interact. energy: 1.288
local terms energy: -235.283297
where:
bonds (distance) C4'-P energy: -68.125
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -15.938
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: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -447.472600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.472600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.472600 (E_RNA)
where:
Base-Base interactions energy: -220.937
where: short stacking energy: -136.996
Base-Backbone interact. energy: 2.553
local terms energy: -229.089190
where:
bonds (distance) C4'-P energy: -66.408
bonds (distance) P-C4' energy: -70.949
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -1.865
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: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -377.102510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.102510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.102510 (E_RNA)
where:
Base-Base interactions energy: -185.349
where: short stacking energy: -92.779
Base-Backbone interact. energy: -0.967
local terms energy: -190.786792
where:
bonds (distance) C4'-P energy: -65.065
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -31.412
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: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1410.347783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.347783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.347783 (E_RNA)
where:
Base-Base interactions energy: -982.891
where: short stacking energy: -396.806
Base-Backbone interact. energy: -0.524
local terms energy: -426.932696
where:
bonds (distance) C4'-P energy: -80.154
bonds (distance) P-C4' energy: -71.198
flat angles C4'-P-C4' energy: -95.059
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -122.349
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: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1341.186541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.186541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.186541 (E_RNA)
where:
Base-Base interactions energy: -935.396
where: short stacking energy: -384.743
Base-Backbone interact. energy: 0.812
local terms energy: -406.602877
where:
bonds (distance) C4'-P energy: -78.024
bonds (distance) P-C4' energy: -74.912
flat angles C4'-P-C4' energy: -82.448
flat angles P-C4'-P energy: -53.559
tors. eta vs tors. theta energy: -117.661
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: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1275.977959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.977959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.977959 (E_RNA)
where:
Base-Base interactions energy: -872.627
where: short stacking energy: -376.229
Base-Backbone interact. energy: -0.515
local terms energy: -402.835703
where:
bonds (distance) C4'-P energy: -76.799
bonds (distance) P-C4' energy: -68.438
flat angles C4'-P-C4' energy: -86.854
flat angles P-C4'-P energy: -59.493
tors. eta vs tors. theta energy: -111.252
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: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1228.979262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.979262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.979262 (E_RNA)
where:
Base-Base interactions energy: -842.678
where: short stacking energy: -334.328
Base-Backbone interact. energy: 1.417
local terms energy: -387.718207
where:
bonds (distance) C4'-P energy: -86.759
bonds (distance) P-C4' energy: -76.030
flat angles C4'-P-C4' energy: -79.829
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -95.254
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: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1134.433554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.433554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.433554 (E_RNA)
where:
Base-Base interactions energy: -790.594
where: short stacking energy: -321.244
Base-Backbone interact. energy: -1.520
local terms energy: -342.319961
where:
bonds (distance) C4'-P energy: -51.153
bonds (distance) P-C4' energy: -64.933
flat angles C4'-P-C4' energy: -77.045
flat angles P-C4'-P energy: -55.254
tors. eta vs tors. theta energy: -93.935
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: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1118.963053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.963053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.963053 (E_RNA)
where:
Base-Base interactions energy: -744.704
where: short stacking energy: -314.859
Base-Backbone interact. energy: -0.258
local terms energy: -374.000191
where:
bonds (distance) C4'-P energy: -73.304
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -86.697
flat angles P-C4'-P energy: -49.493
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -721.703764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.703764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.703764 (E_RNA)
where:
Base-Base interactions energy: -435.850
where: short stacking energy: -196.099
Base-Backbone interact. energy: 3.321
local terms energy: -289.173915
where:
bonds (distance) C4'-P energy: -68.039
bonds (distance) P-C4' energy: -78.464
flat angles C4'-P-C4' energy: -51.672
flat angles P-C4'-P energy: -45.564
tors. eta vs tors. theta energy: -45.435
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: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -526.486829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.486829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.486829 (E_RNA)
where:
Base-Base interactions energy: -282.751
where: short stacking energy: -150.853
Base-Backbone interact. energy: -0.369
local terms energy: -243.367118
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -80.312
flat angles C4'-P-C4' energy: -66.653
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -11.413
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: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -393.001336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.001336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.001336 (E_RNA)
where:
Base-Base interactions energy: -173.935
where: short stacking energy: -83.843
Base-Backbone interact. energy: 0.183
local terms energy: -219.248969
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -66.366
flat angles P-C4'-P energy: -33.942
tors. eta vs tors. theta energy: 6.284
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: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -398.642128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.642128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.642128 (E_RNA)
where:
Base-Base interactions energy: -181.961
where: short stacking energy: -105.024
Base-Backbone interact. energy: -1.585
local terms energy: -215.095764
where:
bonds (distance) C4'-P energy: -57.784
bonds (distance) P-C4' energy: -69.592
flat angles C4'-P-C4' energy: -50.871
flat angles P-C4'-P energy: -39.152
tors. eta vs tors. theta energy: 2.303
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: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1432.758885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.758885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.758885 (E_RNA)
where:
Base-Base interactions energy: -996.398
where: short stacking energy: -421.996
Base-Backbone interact. energy: 5.362
local terms energy: -441.722562
where:
bonds (distance) C4'-P energy: -65.328
bonds (distance) P-C4' energy: -85.704
flat angles C4'-P-C4' energy: -94.723
flat angles P-C4'-P energy: -59.506
tors. eta vs tors. theta energy: -136.462
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: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1331.843134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.843134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.843134 (E_RNA)
where:
Base-Base interactions energy: -910.211
where: short stacking energy: -375.016
Base-Backbone interact. energy: -3.230
local terms energy: -418.401991
where:
bonds (distance) C4'-P energy: -68.649
bonds (distance) P-C4' energy: -78.120
flat angles C4'-P-C4' energy: -91.222
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -116.994
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: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1248.537512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.537512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.537512 (E_RNA)
where:
Base-Base interactions energy: -841.815
where: short stacking energy: -346.760
Base-Backbone interact. energy: -0.698
local terms energy: -406.024867
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -78.261
flat angles C4'-P-C4' energy: -85.568
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -110.681
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: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1278.464886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.464886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.464886 (E_RNA)
where:
Base-Base interactions energy: -887.358
where: short stacking energy: -353.632
Base-Backbone interact. energy: -1.409
local terms energy: -389.698410
where:
bonds (distance) C4'-P energy: -66.553
bonds (distance) P-C4' energy: -67.862
flat angles C4'-P-C4' energy: -87.336
flat angles P-C4'-P energy: -54.984
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: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1189.065916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.065916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.065916 (E_RNA)
where:
Base-Base interactions energy: -822.622
where: short stacking energy: -322.517
Base-Backbone interact. energy: -1.948
local terms energy: -364.496510
where:
bonds (distance) C4'-P energy: -67.936
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -72.122
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -93.587
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: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1095.812842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.812842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.812842 (E_RNA)
where:
Base-Base interactions energy: -728.304
where: short stacking energy: -322.097
Base-Backbone interact. energy: 2.086
local terms energy: -369.595334
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -73.587
flat angles C4'-P-C4' energy: -77.047
flat angles P-C4'-P energy: -55.650
tors. eta vs tors. theta energy: -92.399
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: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -735.256401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.256401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.256401 (E_RNA)
where:
Base-Base interactions energy: -425.962
where: short stacking energy: -191.393
Base-Backbone interact. energy: -1.307
local terms energy: -307.987238
where:
bonds (distance) C4'-P energy: -65.394
bonds (distance) P-C4' energy: -77.485
flat angles C4'-P-C4' energy: -68.569
flat angles P-C4'-P energy: -51.512
tors. eta vs tors. theta energy: -45.028
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: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -568.287424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.287424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.287424 (E_RNA)
where:
Base-Base interactions energy: -289.521
where: short stacking energy: -142.201
Base-Backbone interact. energy: -2.689
local terms energy: -276.077686
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -80.634
flat angles C4'-P-C4' energy: -63.723
flat angles P-C4'-P energy: -57.493
tors. eta vs tors. theta energy: -13.840
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: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -464.611501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.611501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.611501 (E_RNA)
where:
Base-Base interactions energy: -235.646
where: short stacking energy: -123.369
Base-Backbone interact. energy: -1.739
local terms energy: -227.226116
where:
bonds (distance) C4'-P energy: -61.115
bonds (distance) P-C4' energy: -73.873
flat angles C4'-P-C4' energy: -65.751
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -5.098
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: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -360.583105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.583105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.583105 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -89.779
Base-Backbone interact. energy: -0.624
local terms energy: -219.217694
where:
bonds (distance) C4'-P energy: -68.848
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: 4.711
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: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1434.090276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.090276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.090276 (E_RNA)
where:
Base-Base interactions energy: -966.196
where: short stacking energy: -411.309
Base-Backbone interact. energy: -0.518
local terms energy: -467.375753
where:
bonds (distance) C4'-P energy: -89.865
bonds (distance) P-C4' energy: -80.530
flat angles C4'-P-C4' energy: -99.079
flat angles P-C4'-P energy: -64.364
tors. eta vs tors. theta energy: -133.537
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: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1321.670643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.670643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.670643 (E_RNA)
where:
Base-Base interactions energy: -906.379
where: short stacking energy: -364.755
Base-Backbone interact. energy: -4.360
local terms energy: -410.931749
where:
bonds (distance) C4'-P energy: -81.907
bonds (distance) P-C4' energy: -72.141
flat angles C4'-P-C4' energy: -89.499
flat angles P-C4'-P energy: -60.710
tors. eta vs tors. theta energy: -106.674
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: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1304.119612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.119612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.119612 (E_RNA)
where:
Base-Base interactions energy: -891.554
where: short stacking energy: -361.320
Base-Backbone interact. energy: -1.653
local terms energy: -410.912990
where:
bonds (distance) C4'-P energy: -69.954
bonds (distance) P-C4' energy: -77.645
flat angles C4'-P-C4' energy: -90.193
flat angles P-C4'-P energy: -58.308
tors. eta vs tors. theta energy: -114.813
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: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1234.135764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.135764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.135764 (E_RNA)
where:
Base-Base interactions energy: -830.854
where: short stacking energy: -362.370
Base-Backbone interact. energy: -0.766
local terms energy: -402.516145
where:
bonds (distance) C4'-P energy: -73.751
bonds (distance) P-C4' energy: -79.018
flat angles C4'-P-C4' energy: -79.230
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: -108.517
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: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1217.914849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.914849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.914849 (E_RNA)
where:
Base-Base interactions energy: -845.543
where: short stacking energy: -351.119
Base-Backbone interact. energy: -2.982
local terms energy: -369.389876
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -74.392
flat angles C4'-P-C4' energy: -73.065
flat angles P-C4'-P energy: -55.765
tors. eta vs tors. theta energy: -101.943
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: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1084.442094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.442094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.442094 (E_RNA)
where:
Base-Base interactions energy: -734.973
where: short stacking energy: -316.306
Base-Backbone interact. energy: -1.985
local terms energy: -347.484099
where:
bonds (distance) C4'-P energy: -68.850
bonds (distance) P-C4' energy: -67.789
flat angles C4'-P-C4' energy: -77.953
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: -90.405
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: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -739.296222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.296222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.296222 (E_RNA)
where:
Base-Base interactions energy: -445.560
where: short stacking energy: -206.026
Base-Backbone interact. energy: 0.613
local terms energy: -294.348701
where:
bonds (distance) C4'-P energy: -69.520
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -77.051
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -38.741
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: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -604.171478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.171478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.171478 (E_RNA)
where:
Base-Base interactions energy: -354.735
where: short stacking energy: -180.959
Base-Backbone interact. energy: 1.032
local terms energy: -250.468507
where:
bonds (distance) C4'-P energy: -66.837
bonds (distance) P-C4' energy: -79.140
flat angles C4'-P-C4' energy: -49.798
flat angles P-C4'-P energy: -37.700
tors. eta vs tors. theta energy: -16.994
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: 428
Temperature: 1.300000
Total energy: -449.052170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.052170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.052170 (E_RNA)
where:
Base-Base interactions energy: -210.650
where: short stacking energy: -105.485
Base-Backbone interact. energy: -0.011
local terms energy: -238.391957
where:
bonds (distance) C4'-P energy: -66.194
bonds (distance) P-C4' energy: -76.657
flat angles C4'-P-C4' energy: -67.214
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -4.457
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: 428
Temperature: 1.350000
Total energy: -339.784858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.784858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.784858 (E_RNA)
where:
Base-Base interactions energy: -115.227
where: short stacking energy: -82.250
Base-Backbone interact. energy: -1.786
local terms energy: -222.772090
where:
bonds (distance) C4'-P energy: -72.865
bonds (distance) P-C4' energy: -63.121
flat angles C4'-P-C4' energy: -53.687
flat angles P-C4'-P energy: -32.300
tors. eta vs tors. theta energy: -0.799
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: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1409.407361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.407361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.407361 (E_RNA)
where:
Base-Base interactions energy: -965.626
where: short stacking energy: -393.101
Base-Backbone interact. energy: 0.790
local terms energy: -444.571769
where:
bonds (distance) C4'-P energy: -84.418
bonds (distance) P-C4' energy: -77.846
flat angles C4'-P-C4' energy: -91.377
flat angles P-C4'-P energy: -60.985
tors. eta vs tors. theta energy: -129.946
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1338.903764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.903764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.903764 (E_RNA)
where:
Base-Base interactions energy: -913.357
where: short stacking energy: -382.401
Base-Backbone interact. energy: -0.462
local terms energy: -425.084977
where:
bonds (distance) C4'-P energy: -78.863
bonds (distance) P-C4' energy: -72.441
flat angles C4'-P-C4' energy: -94.489
flat angles P-C4'-P energy: -59.746
tors. eta vs tors. theta energy: -119.546
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: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1276.204566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.204566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.204566 (E_RNA)
where:
Base-Base interactions energy: -899.319
where: short stacking energy: -371.358
Base-Backbone interact. energy: -2.418
local terms energy: -374.468216
where:
bonds (distance) C4'-P energy: -66.126
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -87.274
flat angles P-C4'-P energy: -48.240
tors. eta vs tors. theta energy: -109.077
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: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1224.668448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.668448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.668448 (E_RNA)
where:
Base-Base interactions energy: -853.621
where: short stacking energy: -340.551
Base-Backbone interact. energy: -1.075
local terms energy: -369.971989
where:
bonds (distance) C4'-P energy: -70.853
bonds (distance) P-C4' energy: -75.514
flat angles C4'-P-C4' energy: -79.669
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: -88.658
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: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1230.242190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.242190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.242190 (E_RNA)
where:
Base-Base interactions energy: -820.371
where: short stacking energy: -377.226
Base-Backbone interact. energy: -1.353
local terms energy: -408.517386
where:
bonds (distance) C4'-P energy: -84.269
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -84.485
flat angles P-C4'-P energy: -51.770
tors. eta vs tors. theta energy: -115.355
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: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1124.886144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.886144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.886144 (E_RNA)
where:
Base-Base interactions energy: -748.975
where: short stacking energy: -309.117
Base-Backbone interact. energy: -5.270
local terms energy: -370.641320
where:
bonds (distance) C4'-P energy: -68.664
bonds (distance) P-C4' energy: -74.235
flat angles C4'-P-C4' energy: -85.857
flat angles P-C4'-P energy: -55.035
tors. eta vs tors. theta energy: -86.850
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: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -777.738526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.738526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.738526 (E_RNA)
where:
Base-Base interactions energy: -480.861
where: short stacking energy: -215.246
Base-Backbone interact. energy: 2.043
local terms energy: -298.919911
where:
bonds (distance) C4'-P energy: -70.706
bonds (distance) P-C4' energy: -69.344
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -39.338
tors. eta vs tors. theta energy: -52.512
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: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -621.356049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.356049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.356049 (E_RNA)
where:
Base-Base interactions energy: -379.855
where: short stacking energy: -177.221
Base-Backbone interact. energy: -1.684
local terms energy: -239.817572
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -79.279
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -23.401
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -390.734510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.734510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.734510 (E_RNA)
where:
Base-Base interactions energy: -166.412
where: short stacking energy: -112.549
Base-Backbone interact. energy: 5.462
local terms energy: -229.784276
where:
bonds (distance) C4'-P energy: -78.772
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -62.053
flat angles P-C4'-P energy: -32.456
tors. eta vs tors. theta energy: 9.841
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: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -325.901199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.901199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.901199 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -96.461
Base-Backbone interact. energy: 2.145
local terms energy: -211.307580
where:
bonds (distance) C4'-P energy: -55.244
bonds (distance) P-C4' energy: -66.714
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -36.722
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: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1418.564619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.564619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.564619 (E_RNA)
where:
Base-Base interactions energy: -971.008
where: short stacking energy: -409.379
Base-Backbone interact. energy: 0.153
local terms energy: -447.709139
where:
bonds (distance) C4'-P energy: -75.426
bonds (distance) P-C4' energy: -84.222
flat angles C4'-P-C4' energy: -90.769
flat angles P-C4'-P energy: -59.839
tors. eta vs tors. theta energy: -137.453
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: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1348.802399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.802399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.802399 (E_RNA)
where:
Base-Base interactions energy: -928.132
where: short stacking energy: -385.148
Base-Backbone interact. energy: -1.322
local terms energy: -419.348485
where:
bonds (distance) C4'-P energy: -76.932
bonds (distance) P-C4' energy: -80.099
flat angles C4'-P-C4' energy: -87.078
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -117.315
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: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1278.164168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.164168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.164168 (E_RNA)
where:
Base-Base interactions energy: -885.558
where: short stacking energy: -354.661
Base-Backbone interact. energy: -3.965
local terms energy: -388.641217
where:
bonds (distance) C4'-P energy: -63.884
bonds (distance) P-C4' energy: -67.799
flat angles C4'-P-C4' energy: -81.120
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -121.421
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: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1234.383493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.383493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.383493 (E_RNA)
where:
Base-Base interactions energy: -843.729
where: short stacking energy: -336.436
Base-Backbone interact. energy: -1.648
local terms energy: -389.006780
where:
bonds (distance) C4'-P energy: -65.914
bonds (distance) P-C4' energy: -75.606
flat angles C4'-P-C4' energy: -80.877
flat angles P-C4'-P energy: -60.408
tors. eta vs tors. theta energy: -106.201
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: 430
Temperature: 1.100000
Total energy: -1192.190361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.190361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.190361 (E_RNA)
where:
Base-Base interactions energy: -822.555
where: short stacking energy: -359.380
Base-Backbone interact. energy: -1.590
local terms energy: -368.045604
where:
bonds (distance) C4'-P energy: -55.926
bonds (distance) P-C4' energy: -70.274
flat angles C4'-P-C4' energy: -81.998
flat angles P-C4'-P energy: -47.698
tors. eta vs tors. theta energy: -112.148
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: 6, replica: 4
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1115.015038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.015038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.015038 (E_RNA)
where:
Base-Base interactions energy: -757.034
where: short stacking energy: -295.390
Base-Backbone interact. energy: -0.460
local terms energy: -357.521734
where:
bonds (distance) C4'-P energy: -70.449
bonds (distance) P-C4' energy: -67.035
flat angles C4'-P-C4' energy: -81.064
flat angles P-C4'-P energy: -51.128
tors. eta vs tors. theta energy: -87.846
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -746.227263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.227263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.227263 (E_RNA)
where:
Base-Base interactions energy: -487.951
where: short stacking energy: -224.360
Base-Backbone interact. energy: -1.402
local terms energy: -256.874048
where:
bonds (distance) C4'-P energy: -58.229
bonds (distance) P-C4' energy: -64.965
flat angles C4'-P-C4' energy: -73.082
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -46.380
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: 430
Temperature: 1.250000
Total energy: -562.106712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.106712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.106712 (E_RNA)
where:
Base-Base interactions energy: -315.528
where: short stacking energy: -162.099
Base-Backbone interact. energy: -0.466
local terms energy: -246.112761
where:
bonds (distance) C4'-P energy: -65.852
bonds (distance) P-C4' energy: -73.120
flat angles C4'-P-C4' energy: -64.670
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -28.865
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: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -382.057709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.057709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.057709 (E_RNA)
where:
Base-Base interactions energy: -146.689
where: short stacking energy: -105.410
Base-Backbone interact. energy: -1.340
local terms energy: -234.029576
where:
bonds (distance) C4'-P energy: -59.981
bonds (distance) P-C4' energy: -82.296
flat angles C4'-P-C4' energy: -52.812
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: 2.016
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: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -308.518816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.518816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.518816 (E_RNA)
where:
Base-Base interactions energy: -119.034
where: short stacking energy: -84.583
Base-Backbone interact. energy: 1.615
local terms energy: -191.100081
where:
bonds (distance) C4'-P energy: -58.820
bonds (distance) P-C4' energy: -52.388
flat angles C4'-P-C4' energy: -48.552
flat angles P-C4'-P energy: -36.107
tors. eta vs tors. theta energy: 4.767
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: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1390.357294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.357294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.357294 (E_RNA)
where:
Base-Base interactions energy: -936.029
where: short stacking energy: -413.249
Base-Backbone interact. energy: -1.490
local terms energy: -452.838151
where:
bonds (distance) C4'-P energy: -82.417
bonds (distance) P-C4' energy: -90.732
flat angles C4'-P-C4' energy: -90.865
flat angles P-C4'-P energy: -52.978
tors. eta vs tors. theta energy: -135.846
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1367.553954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.553954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.553954 (E_RNA)
where:
Base-Base interactions energy: -938.139
where: short stacking energy: -375.816
Base-Backbone interact. energy: -1.595
local terms energy: -427.819509
where:
bonds (distance) C4'-P energy: -76.877
bonds (distance) P-C4' energy: -84.875
flat angles C4'-P-C4' energy: -91.343
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: -125.873
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: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1298.108014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.108014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.108014 (E_RNA)
where:
Base-Base interactions energy: -885.107
where: short stacking energy: -366.307
Base-Backbone interact. energy: -1.838
local terms energy: -411.162752
where:
bonds (distance) C4'-P energy: -75.384
bonds (distance) P-C4' energy: -77.947
flat angles C4'-P-C4' energy: -87.484
flat angles P-C4'-P energy: -56.506
tors. eta vs tors. theta energy: -113.842
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: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1231.183471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.183471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.183471 (E_RNA)
where:
Base-Base interactions energy: -836.113
where: short stacking energy: -326.535
Base-Backbone interact. energy: -2.107
local terms energy: -392.963995
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -74.267
flat angles C4'-P-C4' energy: -86.042
flat angles P-C4'-P energy: -54.999
tors. eta vs tors. theta energy: -105.476
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: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1241.650863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.650863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.650863 (E_RNA)
where:
Base-Base interactions energy: -829.675
where: short stacking energy: -349.705
Base-Backbone interact. energy: -2.843
local terms energy: -409.132906
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -89.170
flat angles C4'-P-C4' energy: -83.469
flat angles P-C4'-P energy: -58.454
tors. eta vs tors. theta energy: -113.464
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: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1087.800864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.800864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.800864 (E_RNA)
where:
Base-Base interactions energy: -740.849
where: short stacking energy: -293.731
Base-Backbone interact. energy: -0.573
local terms energy: -346.378689
where:
bonds (distance) C4'-P energy: -71.590
bonds (distance) P-C4' energy: -73.427
flat angles C4'-P-C4' energy: -67.466
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: -81.891
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: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -769.201844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.201844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.201844 (E_RNA)
where:
Base-Base interactions energy: -461.631
where: short stacking energy: -209.607
Base-Backbone interact. energy: 0.099
local terms energy: -307.670031
where:
bonds (distance) C4'-P energy: -79.271
bonds (distance) P-C4' energy: -68.612
flat angles C4'-P-C4' energy: -63.065
flat angles P-C4'-P energy: -55.313
tors. eta vs tors. theta energy: -41.409
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: 431
Temperature: 1.250000
Total energy: -562.602452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.602452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.602452 (E_RNA)
where:
Base-Base interactions energy: -299.293
where: short stacking energy: -161.131
Base-Backbone interact. energy: -0.165
local terms energy: -263.144852
where:
bonds (distance) C4'-P energy: -63.257
bonds (distance) P-C4' energy: -72.122
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -48.594
tors. eta vs tors. theta energy: -21.063
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: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -362.881192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.881192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.881192 (E_RNA)
where:
Base-Base interactions energy: -146.912
where: short stacking energy: -84.774
Base-Backbone interact. energy: 0.321
local terms energy: -216.290127
where:
bonds (distance) C4'-P energy: -69.867
bonds (distance) P-C4' energy: -70.964
flat angles C4'-P-C4' energy: -53.598
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: 10.538
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: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -297.641307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.641307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.641307 (E_RNA)
where:
Base-Base interactions energy: -99.562
where: short stacking energy: -85.480
Base-Backbone interact. energy: -0.003
local terms energy: -198.076694
where:
bonds (distance) C4'-P energy: -60.760
bonds (distance) P-C4' energy: -77.308
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: 19.313
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: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1407.563898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.563898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.563898 (E_RNA)
where:
Base-Base interactions energy: -965.515
where: short stacking energy: -410.252
Base-Backbone interact. energy: -1.017
local terms energy: -441.031943
where:
bonds (distance) C4'-P energy: -78.145
bonds (distance) P-C4' energy: -88.194
flat angles C4'-P-C4' energy: -89.620
flat angles P-C4'-P energy: -58.096
tors. eta vs tors. theta energy: -126.978
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: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1364.455569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.455569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.455569 (E_RNA)
where:
Base-Base interactions energy: -931.456
where: short stacking energy: -389.030
Base-Backbone interact. energy: -2.518
local terms energy: -430.481914
where:
bonds (distance) C4'-P energy: -75.329
bonds (distance) P-C4' energy: -72.330
flat angles C4'-P-C4' energy: -92.018
flat angles P-C4'-P energy: -69.698
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1319.924272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.924272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.924272 (E_RNA)
where:
Base-Base interactions energy: -916.713
where: short stacking energy: -382.256
Base-Backbone interact. energy: -1.417
local terms energy: -401.794575
where:
bonds (distance) C4'-P energy: -72.028
bonds (distance) P-C4' energy: -76.155
flat angles C4'-P-C4' energy: -96.021
flat angles P-C4'-P energy: -51.788
tors. eta vs tors. theta energy: -105.802
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: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1270.666667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.666667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.666667 (E_RNA)
where:
Base-Base interactions energy: -875.420
where: short stacking energy: -342.906
Base-Backbone interact. energy: -0.526
local terms energy: -394.720499
where:
bonds (distance) C4'-P energy: -75.378
bonds (distance) P-C4' energy: -80.222
flat angles C4'-P-C4' energy: -83.108
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: -106.165
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: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1212.587873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.587873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.587873 (E_RNA)
where:
Base-Base interactions energy: -836.097
where: short stacking energy: -379.918
Base-Backbone interact. energy: 1.615
local terms energy: -378.105185
where:
bonds (distance) C4'-P energy: -71.748
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -84.648
flat angles P-C4'-P energy: -53.297
tors. eta vs tors. theta energy: -109.534
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: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1075.176256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.176256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.176256 (E_RNA)
where:
Base-Base interactions energy: -724.622
where: short stacking energy: -307.192
Base-Backbone interact. energy: 2.657
local terms energy: -353.211317
where:
bonds (distance) C4'-P energy: -75.014
bonds (distance) P-C4' energy: -67.538
flat angles C4'-P-C4' energy: -80.051
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -86.277
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: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -825.744302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.744302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.744302 (E_RNA)
where:
Base-Base interactions energy: -507.133
where: short stacking energy: -234.605
Base-Backbone interact. energy: 0.777
local terms energy: -319.388367
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -76.077
flat angles C4'-P-C4' energy: -66.757
flat angles P-C4'-P energy: -58.748
tors. eta vs tors. theta energy: -60.177
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -475.232373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.232373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.232373 (E_RNA)
where:
Base-Base interactions energy: -232.391
where: short stacking energy: -137.727
Base-Backbone interact. energy: 1.806
local terms energy: -244.647764
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -75.819
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -44.501
tors. eta vs tors. theta energy: 0.071
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: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -325.444664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.444664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.444664 (E_RNA)
where:
Base-Base interactions energy: -119.007
where: short stacking energy: -80.794
Base-Backbone interact. energy: 1.082
local terms energy: -207.519688
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: 13.304
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -299.158083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.158083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.158083 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -84.217
Base-Backbone interact. energy: -1.098
local terms energy: -184.990154
where:
bonds (distance) C4'-P energy: -65.231
bonds (distance) P-C4' energy: -74.881
flat angles C4'-P-C4' energy: -46.432
flat angles P-C4'-P energy: -21.520
tors. eta vs tors. theta energy: 23.073
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: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1434.188502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.188502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.188502 (E_RNA)
where:
Base-Base interactions energy: -1000.868
where: short stacking energy: -410.980
Base-Backbone interact. energy: -0.174
local terms energy: -433.146897
where:
bonds (distance) C4'-P energy: -71.424
bonds (distance) P-C4' energy: -85.409
flat angles C4'-P-C4' energy: -94.625
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -125.427
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: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1370.917446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.917446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.917446 (E_RNA)
where:
Base-Base interactions energy: -952.042
where: short stacking energy: -382.720
Base-Backbone interact. energy: 0.657
local terms energy: -419.532053
where:
bonds (distance) C4'-P energy: -67.273
bonds (distance) P-C4' energy: -74.234
flat angles C4'-P-C4' energy: -94.074
flat angles P-C4'-P energy: -66.130
tors. eta vs tors. theta energy: -117.820
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1282.146835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.146835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.146835 (E_RNA)
where:
Base-Base interactions energy: -879.805
where: short stacking energy: -349.148
Base-Backbone interact. energy: -2.109
local terms energy: -400.233325
where:
bonds (distance) C4'-P energy: -68.251
bonds (distance) P-C4' energy: -72.122
flat angles C4'-P-C4' energy: -90.275
flat angles P-C4'-P energy: -54.776
tors. eta vs tors. theta energy: -114.809
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: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1260.933589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.933589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.933589 (E_RNA)
where:
Base-Base interactions energy: -875.018
where: short stacking energy: -352.815
Base-Backbone interact. energy: -1.874
local terms energy: -384.042052
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -84.738
flat angles C4'-P-C4' energy: -81.498
flat angles P-C4'-P energy: -48.325
tors. eta vs tors. theta energy: -101.033
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: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1177.933661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.933661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.933661 (E_RNA)
where:
Base-Base interactions energy: -824.368
where: short stacking energy: -329.745
Base-Backbone interact. energy: 0.574
local terms energy: -354.139521
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -66.570
flat angles C4'-P-C4' energy: -76.023
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -103.698
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: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1083.358155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.358155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.358155 (E_RNA)
where:
Base-Base interactions energy: -715.124
where: short stacking energy: -305.747
Base-Backbone interact. energy: -1.037
local terms energy: -367.196674
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -72.485
flat angles C4'-P-C4' energy: -81.007
flat angles P-C4'-P energy: -48.537
tors. eta vs tors. theta energy: -90.065
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -807.232445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.232445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.232445 (E_RNA)
where:
Base-Base interactions energy: -501.022
where: short stacking energy: -216.473
Base-Backbone interact. energy: -1.016
local terms energy: -305.194551
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -72.096
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: -49.553
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: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -461.627821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.627821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.627821 (E_RNA)
where:
Base-Base interactions energy: -214.088
where: short stacking energy: -146.726
Base-Backbone interact. energy: -0.875
local terms energy: -246.664397
where:
bonds (distance) C4'-P energy: -69.504
bonds (distance) P-C4' energy: -74.034
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -6.956
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: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -343.491626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.491626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.491626 (E_RNA)
where:
Base-Base interactions energy: -99.130
where: short stacking energy: -83.967
Base-Backbone interact. energy: 0.256
local terms energy: -244.617261
where:
bonds (distance) C4'-P energy: -70.912
bonds (distance) P-C4' energy: -72.448
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: -1.916
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: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -329.215371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.215371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.215371 (E_RNA)
where:
Base-Base interactions energy: -100.442
where: short stacking energy: -74.406
Base-Backbone interact. energy: 4.262
local terms energy: -233.035808
where:
bonds (distance) C4'-P energy: -63.627
bonds (distance) P-C4' energy: -79.084
flat angles C4'-P-C4' energy: -60.608
flat angles P-C4'-P energy: -35.248
tors. eta vs tors. theta energy: 5.532
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: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1413.702990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.702990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.702990 (E_RNA)
where:
Base-Base interactions energy: -992.632
where: short stacking energy: -416.420
Base-Backbone interact. energy: -1.877
local terms energy: -419.194159
where:
bonds (distance) C4'-P energy: -77.061
bonds (distance) P-C4' energy: -77.692
flat angles C4'-P-C4' energy: -88.283
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -125.569
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: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1363.102135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.102135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.102135 (E_RNA)
where:
Base-Base interactions energy: -939.598
where: short stacking energy: -373.939
Base-Backbone interact. energy: -1.855
local terms energy: -421.649256
where:
bonds (distance) C4'-P energy: -78.403
bonds (distance) P-C4' energy: -78.619
flat angles C4'-P-C4' energy: -91.440
flat angles P-C4'-P energy: -59.080
tors. eta vs tors. theta energy: -114.107
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: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1297.672483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.672483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.672483 (E_RNA)
where:
Base-Base interactions energy: -889.039
where: short stacking energy: -373.181
Base-Backbone interact. energy: -1.035
local terms energy: -407.598779
where:
bonds (distance) C4'-P energy: -71.670
bonds (distance) P-C4' energy: -75.889
flat angles C4'-P-C4' energy: -83.489
flat angles P-C4'-P energy: -61.929
tors. eta vs tors. theta energy: -114.621
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: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1249.974605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.974605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.974605 (E_RNA)
where:
Base-Base interactions energy: -873.659
where: short stacking energy: -360.414
Base-Backbone interact. energy: -2.908
local terms energy: -373.408301
where:
bonds (distance) C4'-P energy: -73.237
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -82.499
flat angles P-C4'-P energy: -49.076
tors. eta vs tors. theta energy: -101.759
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: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1200.076095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.076095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.076095 (E_RNA)
where:
Base-Base interactions energy: -806.934
where: short stacking energy: -323.446
Base-Backbone interact. energy: -0.117
local terms energy: -393.024933
where:
bonds (distance) C4'-P energy: -68.200
bonds (distance) P-C4' energy: -85.036
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -59.626
tors. eta vs tors. theta energy: -99.125
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: 6, replica: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1090.095621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.095621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.095621 (E_RNA)
where:
Base-Base interactions energy: -739.696
where: short stacking energy: -309.312
Base-Backbone interact. energy: -2.132
local terms energy: -348.266919
where:
bonds (distance) C4'-P energy: -59.054
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -80.806
flat angles P-C4'-P energy: -56.248
tors. eta vs tors. theta energy: -91.191
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -813.482604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.482604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.482604 (E_RNA)
where:
Base-Base interactions energy: -510.576
where: short stacking energy: -227.458
Base-Backbone interact. energy: -1.841
local terms energy: -301.065386
where:
bonds (distance) C4'-P energy: -64.233
bonds (distance) P-C4' energy: -69.655
flat angles C4'-P-C4' energy: -67.868
flat angles P-C4'-P energy: -42.875
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -503.250867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.250867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.250867 (E_RNA)
where:
Base-Base interactions energy: -277.361
where: short stacking energy: -101.912
Base-Backbone interact. energy: -0.818
local terms energy: -225.071416
where:
bonds (distance) C4'-P energy: -67.218
bonds (distance) P-C4' energy: -68.235
flat angles C4'-P-C4' energy: -63.481
flat angles P-C4'-P energy: -33.842
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: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -353.933900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.933900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.933900 (E_RNA)
where:
Base-Base interactions energy: -151.729
where: short stacking energy: -104.225
Base-Backbone interact. energy: -0.939
local terms energy: -201.266122
where:
bonds (distance) C4'-P energy: -56.577
bonds (distance) P-C4' energy: -66.421
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -33.556
tors. eta vs tors. theta energy: 17.405
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: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -305.702205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.702205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.702205 (E_RNA)
where:
Base-Base interactions energy: -106.123
where: short stacking energy: -86.916
Base-Backbone interact. energy: -0.239
local terms energy: -199.340308
where:
bonds (distance) C4'-P energy: -56.049
bonds (distance) P-C4' energy: -66.307
flat angles C4'-P-C4' energy: -55.027
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: 8.668
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: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1428.469306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.469306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.469306 (E_RNA)
where:
Base-Base interactions energy: -981.512
where: short stacking energy: -411.878
Base-Backbone interact. energy: -0.909
local terms energy: -446.047535
where:
bonds (distance) C4'-P energy: -77.115
bonds (distance) P-C4' energy: -80.988
flat angles C4'-P-C4' energy: -89.239
flat angles P-C4'-P energy: -56.283
tors. eta vs tors. theta energy: -142.422
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: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1377.933524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.933524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.933524 (E_RNA)
where:
Base-Base interactions energy: -965.583
where: short stacking energy: -390.911
Base-Backbone interact. energy: -1.873
local terms energy: -410.477574
where:
bonds (distance) C4'-P energy: -77.000
bonds (distance) P-C4' energy: -77.554
flat angles C4'-P-C4' energy: -77.669
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -119.922
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: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1302.959559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.959559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.959559 (E_RNA)
where:
Base-Base interactions energy: -907.731
where: short stacking energy: -381.563
Base-Backbone interact. energy: -0.488
local terms energy: -394.740640
where:
bonds (distance) C4'-P energy: -58.734
bonds (distance) P-C4' energy: -77.453
flat angles C4'-P-C4' energy: -84.927
flat angles P-C4'-P energy: -60.071
tors. eta vs tors. theta energy: -113.556
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: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1260.767414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.767414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.767414 (E_RNA)
where:
Base-Base interactions energy: -897.267
where: short stacking energy: -341.123
Base-Backbone interact. energy: -2.373
local terms energy: -361.127144
where:
bonds (distance) C4'-P energy: -72.234
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -81.187
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -93.421
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: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1202.963285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.963285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.963285 (E_RNA)
where:
Base-Base interactions energy: -833.290
where: short stacking energy: -348.328
Base-Backbone interact. energy: -2.389
local terms energy: -367.284887
where:
bonds (distance) C4'-P energy: -69.330
bonds (distance) P-C4' energy: -67.876
flat angles C4'-P-C4' energy: -79.016
flat angles P-C4'-P energy: -49.468
tors. eta vs tors. theta energy: -101.595
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: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1086.489632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.489632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.489632 (E_RNA)
where:
Base-Base interactions energy: -729.167
where: short stacking energy: -308.198
Base-Backbone interact. energy: -3.588
local terms energy: -353.735313
where:
bonds (distance) C4'-P energy: -70.852
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -81.708
flat angles P-C4'-P energy: -49.548
tors. eta vs tors. theta energy: -83.291
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: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -799.412358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.412358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.412358 (E_RNA)
where:
Base-Base interactions energy: -511.913
where: short stacking energy: -220.418
Base-Backbone interact. energy: 2.834
local terms energy: -290.333731
where:
bonds (distance) C4'-P energy: -70.513
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -64.823
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -52.927
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: 435
Temperature: 1.250000
Total energy: -483.977157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.977157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.977157 (E_RNA)
where:
Base-Base interactions energy: -267.198
where: short stacking energy: -140.761
Base-Backbone interact. energy: 2.593
local terms energy: -219.372110
where:
bonds (distance) C4'-P energy: -56.268
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -63.477
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -10.136
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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -346.695480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.695480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.695480 (E_RNA)
where:
Base-Base interactions energy: -110.444
where: short stacking energy: -92.609
Base-Backbone interact. energy: 3.388
local terms energy: -239.639285
where:
bonds (distance) C4'-P energy: -68.721
bonds (distance) P-C4' energy: -77.699
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: 17.435
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: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -313.743404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.743404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.743404 (E_RNA)
where:
Base-Base interactions energy: -109.884
where: short stacking energy: -102.068
Base-Backbone interact. energy: -0.942
local terms energy: -202.916821
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -66.086
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -1.357
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: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1434.476041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.476041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.476041 (E_RNA)
where:
Base-Base interactions energy: -968.789
where: short stacking energy: -398.833
Base-Backbone interact. energy: -0.856
local terms energy: -464.831026
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -80.002
flat angles C4'-P-C4' energy: -98.850
flat angles P-C4'-P energy: -64.842
tors. eta vs tors. theta energy: -132.122
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: 436
Temperature: 0.950000
Total energy: -1372.424702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.424702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.424702 (E_RNA)
where:
Base-Base interactions energy: -957.251
where: short stacking energy: -379.610
Base-Backbone interact. energy: -0.850
local terms energy: -414.324169
where:
bonds (distance) C4'-P energy: -79.000
bonds (distance) P-C4' energy: -76.143
flat angles C4'-P-C4' energy: -84.631
flat angles P-C4'-P energy: -50.414
tors. eta vs tors. theta energy: -124.136
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: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1305.071886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.071886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.071886 (E_RNA)
where:
Base-Base interactions energy: -900.228
where: short stacking energy: -362.501
Base-Backbone interact. energy: -0.614
local terms energy: -404.229158
where:
bonds (distance) C4'-P energy: -61.829
bonds (distance) P-C4' energy: -84.040
flat angles C4'-P-C4' energy: -91.369
flat angles P-C4'-P energy: -60.974
tors. eta vs tors. theta energy: -106.017
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: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1257.397156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.397156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.397156 (E_RNA)
where:
Base-Base interactions energy: -865.549
where: short stacking energy: -371.778
Base-Backbone interact. energy: -1.234
local terms energy: -390.613400
where:
bonds (distance) C4'-P energy: -67.756
bonds (distance) P-C4' energy: -69.741
flat angles C4'-P-C4' energy: -88.558
flat angles P-C4'-P energy: -54.033
tors. eta vs tors. theta energy: -110.525
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: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1200.532899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.532899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.532899 (E_RNA)
where:
Base-Base interactions energy: -822.776
where: short stacking energy: -341.781
Base-Backbone interact. energy: -2.435
local terms energy: -375.322278
where:
bonds (distance) C4'-P energy: -63.549
bonds (distance) P-C4' energy: -72.244
flat angles C4'-P-C4' energy: -79.912
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -103.889
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: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1076.290292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.290292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.290292 (E_RNA)
where:
Base-Base interactions energy: -713.103
where: short stacking energy: -317.885
Base-Backbone interact. energy: -1.880
local terms energy: -361.306729
where:
bonds (distance) C4'-P energy: -73.713
bonds (distance) P-C4' energy: -71.788
flat angles C4'-P-C4' energy: -84.102
flat angles P-C4'-P energy: -45.036
tors. eta vs tors. theta energy: -86.667
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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -805.451252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.451252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.451252 (E_RNA)
where:
Base-Base interactions energy: -501.035
where: short stacking energy: -198.332
Base-Backbone interact. energy: -2.293
local terms energy: -302.123732
where:
bonds (distance) C4'-P energy: -77.895
bonds (distance) P-C4' energy: -76.138
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -40.138
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: 436
Temperature: 1.250000
Total energy: -529.740832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.740832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.740832 (E_RNA)
where:
Base-Base interactions energy: -271.497
where: short stacking energy: -153.679
Base-Backbone interact. energy: -0.726
local terms energy: -257.518190
where:
bonds (distance) C4'-P energy: -64.631
bonds (distance) P-C4' energy: -79.063
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -22.450
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -362.928961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.928961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.928961 (E_RNA)
where:
Base-Base interactions energy: -152.456
where: short stacking energy: -86.919
Base-Backbone interact. energy: 0.003
local terms energy: -210.476294
where:
bonds (distance) C4'-P energy: -58.594
bonds (distance) P-C4' energy: -74.178
flat angles C4'-P-C4' energy: -58.723
flat angles P-C4'-P energy: -28.813
tors. eta vs tors. theta energy: 9.832
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -311.542937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.542937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.542937 (E_RNA)
where:
Base-Base interactions energy: -90.816
where: short stacking energy: -73.051
Base-Backbone interact. energy: 4.586
local terms energy: -225.312962
where:
bonds (distance) C4'-P energy: -69.305
bonds (distance) P-C4' energy: -78.318
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: 19.377
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: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1422.364485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.364485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.364485 (E_RNA)
where:
Base-Base interactions energy: -988.021
where: short stacking energy: -405.085
Base-Backbone interact. energy: -0.354
local terms energy: -433.990276
where:
bonds (distance) C4'-P energy: -66.496
bonds (distance) P-C4' energy: -71.110
flat angles C4'-P-C4' energy: -95.014
flat angles P-C4'-P energy: -67.901
tors. eta vs tors. theta energy: -133.469
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1416.562129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.562129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.562129 (E_RNA)
where:
Base-Base interactions energy: -980.510
where: short stacking energy: -403.363
Base-Backbone interact. energy: -1.440
local terms energy: -434.611538
where:
bonds (distance) C4'-P energy: -86.900
bonds (distance) P-C4' energy: -78.056
flat angles C4'-P-C4' energy: -83.670
flat angles P-C4'-P energy: -55.735
tors. eta vs tors. theta energy: -130.251
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: 437
Temperature: 1.000000
Total energy: -1295.359740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.359740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.359740 (E_RNA)
where:
Base-Base interactions energy: -887.988
where: short stacking energy: -341.957
Base-Backbone interact. energy: -3.943
local terms energy: -403.429258
where:
bonds (distance) C4'-P energy: -83.231
bonds (distance) P-C4' energy: -68.046
flat angles C4'-P-C4' energy: -85.581
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -104.393
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: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1255.156059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.156059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.156059 (E_RNA)
where:
Base-Base interactions energy: -847.505
where: short stacking energy: -364.554
Base-Backbone interact. energy: -1.735
local terms energy: -405.915415
where:
bonds (distance) C4'-P energy: -66.677
bonds (distance) P-C4' energy: -77.077
flat angles C4'-P-C4' energy: -86.549
flat angles P-C4'-P energy: -65.838
tors. eta vs tors. theta energy: -109.773
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: 437
Temperature: 1.100000
Total energy: -1190.687964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.687964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.687964 (E_RNA)
where:
Base-Base interactions energy: -794.298
where: short stacking energy: -329.016
Base-Backbone interact. energy: 1.896
local terms energy: -398.285938
where:
bonds (distance) C4'-P energy: -81.369
bonds (distance) P-C4' energy: -79.547
flat angles C4'-P-C4' energy: -81.227
flat angles P-C4'-P energy: -56.167
tors. eta vs tors. theta energy: -99.976
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: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1083.946963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.946963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.946963 (E_RNA)
where:
Base-Base interactions energy: -749.784
where: short stacking energy: -324.618
Base-Backbone interact. energy: -1.198
local terms energy: -332.964207
where:
bonds (distance) C4'-P energy: -64.755
bonds (distance) P-C4' energy: -66.760
flat angles C4'-P-C4' energy: -65.971
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -93.499
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: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -827.334729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.334729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.334729 (E_RNA)
where:
Base-Base interactions energy: -501.954
where: short stacking energy: -217.721
Base-Backbone interact. energy: -0.535
local terms energy: -324.845725
where:
bonds (distance) C4'-P energy: -75.852
bonds (distance) P-C4' energy: -80.389
flat angles C4'-P-C4' energy: -76.422
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -50.889
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: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -509.001574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.001574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.001574 (E_RNA)
where:
Base-Base interactions energy: -237.446
where: short stacking energy: -142.420
Base-Backbone interact. energy: -0.095
local terms energy: -271.460715
where:
bonds (distance) C4'-P energy: -70.871
bonds (distance) P-C4' energy: -68.388
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -21.152
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: 437
Temperature: 1.300000
Total energy: -347.249524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.249524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.249524 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -120.022
Base-Backbone interact. energy: -1.742
local terms energy: -208.912649
where:
bonds (distance) C4'-P energy: -61.170
bonds (distance) P-C4' energy: -66.430
flat angles C4'-P-C4' energy: -54.038
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: 1.253
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: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -321.480080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.480080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.480080 (E_RNA)
where:
Base-Base interactions energy: -125.104
where: short stacking energy: -92.970
Base-Backbone interact. energy: 0.165
local terms energy: -196.541582
where:
bonds (distance) C4'-P energy: -49.700
bonds (distance) P-C4' energy: -73.805
flat angles C4'-P-C4' energy: -51.050
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: 7.541
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: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1436.286560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.286560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.286560 (E_RNA)
where:
Base-Base interactions energy: -973.742
where: short stacking energy: -401.065
Base-Backbone interact. energy: -1.261
local terms energy: -461.282804
where:
bonds (distance) C4'-P energy: -88.761
bonds (distance) P-C4' energy: -86.944
flat angles C4'-P-C4' energy: -94.439
flat angles P-C4'-P energy: -60.720
tors. eta vs tors. theta energy: -130.418
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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1385.207923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.207923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.207923 (E_RNA)
where:
Base-Base interactions energy: -960.236
where: short stacking energy: -380.922
Base-Backbone interact. energy: -1.986
local terms energy: -422.985908
where:
bonds (distance) C4'-P energy: -72.934
bonds (distance) P-C4' energy: -79.991
flat angles C4'-P-C4' energy: -83.771
flat angles P-C4'-P energy: -64.189
tors. eta vs tors. theta energy: -122.101
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: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1302.063371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.063371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.063371 (E_RNA)
where:
Base-Base interactions energy: -906.772
where: short stacking energy: -365.151
Base-Backbone interact. energy: -1.760
local terms energy: -393.530933
where:
bonds (distance) C4'-P energy: -80.505
bonds (distance) P-C4' energy: -72.125
flat angles C4'-P-C4' energy: -85.036
flat angles P-C4'-P energy: -51.843
tors. eta vs tors. theta energy: -104.022
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: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1244.641831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.641831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.641831 (E_RNA)
where:
Base-Base interactions energy: -841.609
where: short stacking energy: -347.108
Base-Backbone interact. energy: -0.097
local terms energy: -402.935431
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -72.817
flat angles C4'-P-C4' energy: -93.521
flat angles P-C4'-P energy: -59.932
tors. eta vs tors. theta energy: -108.085
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: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1198.580977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.580977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.580977 (E_RNA)
where:
Base-Base interactions energy: -819.863
where: short stacking energy: -345.524
Base-Backbone interact. energy: -1.230
local terms energy: -377.488198
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -70.961
flat angles C4'-P-C4' energy: -79.019
flat angles P-C4'-P energy: -52.023
tors. eta vs tors. theta energy: -110.458
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: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1098.277333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.277333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.277333 (E_RNA)
where:
Base-Base interactions energy: -712.969
where: short stacking energy: -304.812
Base-Backbone interact. energy: -1.089
local terms energy: -384.219930
where:
bonds (distance) C4'-P energy: -85.377
bonds (distance) P-C4' energy: -75.858
flat angles C4'-P-C4' energy: -79.169
flat angles P-C4'-P energy: -48.974
tors. eta vs tors. theta energy: -94.843
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -814.509871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.509871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.509871 (E_RNA)
where:
Base-Base interactions energy: -503.177
where: short stacking energy: -230.242
Base-Backbone interact. energy: -0.857
local terms energy: -310.476240
where:
bonds (distance) C4'-P energy: -72.819
bonds (distance) P-C4' energy: -62.127
flat angles C4'-P-C4' energy: -76.760
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -55.503
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: 438
Temperature: 1.250000
Total energy: -489.874012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.874012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.874012 (E_RNA)
where:
Base-Base interactions energy: -253.398
where: short stacking energy: -144.330
Base-Backbone interact. energy: -1.408
local terms energy: -235.068227
where:
bonds (distance) C4'-P energy: -56.263
bonds (distance) P-C4' energy: -65.694
flat angles C4'-P-C4' energy: -52.812
flat angles P-C4'-P energy: -46.495
tors. eta vs tors. theta energy: -13.805
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: 438
Temperature: 1.300000
Total energy: -338.339130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.339130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.339130 (E_RNA)
where:
Base-Base interactions energy: -137.088
where: short stacking energy: -113.534
Base-Backbone interact. energy: 2.806
local terms energy: -204.057092
where:
bonds (distance) C4'-P energy: -66.621
bonds (distance) P-C4' energy: -62.688
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: 9.559
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: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -323.597002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.597002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.597002 (E_RNA)
where:
Base-Base interactions energy: -105.880
where: short stacking energy: -94.238
Base-Backbone interact. energy: -3.064
local terms energy: -214.653115
where:
bonds (distance) C4'-P energy: -61.161
bonds (distance) P-C4' energy: -75.132
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: 14.155
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: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1400.615536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.615536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.615536 (E_RNA)
where:
Base-Base interactions energy: -969.967
where: short stacking energy: -390.704
Base-Backbone interact. energy: -1.572
local terms energy: -429.076107
where:
bonds (distance) C4'-P energy: -80.863
bonds (distance) P-C4' energy: -78.591
flat angles C4'-P-C4' energy: -82.419
flat angles P-C4'-P energy: -60.643
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: 439
Temperature: 0.950000
Total energy: -1376.746154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.746154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.746154 (E_RNA)
where:
Base-Base interactions energy: -952.143
where: short stacking energy: -406.043
Base-Backbone interact. energy: -4.042
local terms energy: -420.561347
where:
bonds (distance) C4'-P energy: -74.973
bonds (distance) P-C4' energy: -68.587
flat angles C4'-P-C4' energy: -90.736
flat angles P-C4'-P energy: -57.770
tors. eta vs tors. theta energy: -128.497
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: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1295.793430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.793430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.793430 (E_RNA)
where:
Base-Base interactions energy: -907.576
where: short stacking energy: -356.144
Base-Backbone interact. energy: 2.847
local terms energy: -391.063972
where:
bonds (distance) C4'-P energy: -78.695
bonds (distance) P-C4' energy: -71.463
flat angles C4'-P-C4' energy: -81.195
flat angles P-C4'-P energy: -57.593
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: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1268.872447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.872447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.872447 (E_RNA)
where:
Base-Base interactions energy: -865.410
where: short stacking energy: -342.054
Base-Backbone interact. energy: -2.517
local terms energy: -400.944963
where:
bonds (distance) C4'-P energy: -76.797
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -91.374
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -115.095
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: 439
Temperature: 1.100000
Total energy: -1196.348076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.348076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.348076 (E_RNA)
where:
Base-Base interactions energy: -814.542
where: short stacking energy: -343.879
Base-Backbone interact. energy: 0.483
local terms energy: -382.288998
where:
bonds (distance) C4'-P energy: -63.864
bonds (distance) P-C4' energy: -77.198
flat angles C4'-P-C4' energy: -78.048
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -112.966
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: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1088.476537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.476537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.476537 (E_RNA)
where:
Base-Base interactions energy: -719.566
where: short stacking energy: -305.836
Base-Backbone interact. energy: -0.734
local terms energy: -368.176490
where:
bonds (distance) C4'-P energy: -72.568
bonds (distance) P-C4' energy: -72.930
flat angles C4'-P-C4' energy: -85.856
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -91.531
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: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -762.173953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.173953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.173953 (E_RNA)
where:
Base-Base interactions energy: -445.814
where: short stacking energy: -195.108
Base-Backbone interact. energy: -2.012
local terms energy: -314.348017
where:
bonds (distance) C4'-P energy: -51.490
bonds (distance) P-C4' energy: -78.502
flat angles C4'-P-C4' energy: -80.199
flat angles P-C4'-P energy: -49.634
tors. eta vs tors. theta energy: -54.523
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: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -467.176006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.176006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.176006 (E_RNA)
where:
Base-Base interactions energy: -234.427
where: short stacking energy: -148.587
Base-Backbone interact. energy: 2.183
local terms energy: -234.932261
where:
bonds (distance) C4'-P energy: -69.909
bonds (distance) P-C4' energy: -69.086
flat angles C4'-P-C4' energy: -62.921
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -5.636
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: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -341.455696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.455696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.455696 (E_RNA)
where:
Base-Base interactions energy: -93.950
where: short stacking energy: -82.049
Base-Backbone interact. energy: 0.978
local terms energy: -248.483503
where:
bonds (distance) C4'-P energy: -68.381
bonds (distance) P-C4' energy: -75.019
flat angles C4'-P-C4' energy: -73.090
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: 7.717
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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -324.279737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.279737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.279737 (E_RNA)
where:
Base-Base interactions energy: -105.742
where: short stacking energy: -87.654
Base-Backbone interact. energy: 3.697
local terms energy: -222.234682
where:
bonds (distance) C4'-P energy: -70.600
bonds (distance) P-C4' energy: -73.197
flat angles C4'-P-C4' energy: -43.137
flat angles P-C4'-P energy: -46.436
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: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1395.633646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.633646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.633646 (E_RNA)
where:
Base-Base interactions energy: -949.330
where: short stacking energy: -385.139
Base-Backbone interact. energy: 0.505
local terms energy: -446.809074
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -79.123
flat angles C4'-P-C4' energy: -93.781
flat angles P-C4'-P energy: -66.177
tors. eta vs tors. theta energy: -128.027
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: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1369.940211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.940211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.940211 (E_RNA)
where:
Base-Base interactions energy: -961.556
where: short stacking energy: -392.546
Base-Backbone interact. energy: -0.703
local terms energy: -407.680555
where:
bonds (distance) C4'-P energy: -60.768
bonds (distance) P-C4' energy: -71.598
flat angles C4'-P-C4' energy: -87.201
flat angles P-C4'-P energy: -65.581
tors. eta vs tors. theta energy: -122.532
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: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1311.685917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.685917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.685917 (E_RNA)
where:
Base-Base interactions energy: -890.798
where: short stacking energy: -382.032
Base-Backbone interact. energy: -3.201
local terms energy: -417.686484
where:
bonds (distance) C4'-P energy: -78.445
bonds (distance) P-C4' energy: -84.311
flat angles C4'-P-C4' energy: -88.732
flat angles P-C4'-P energy: -59.248
tors. eta vs tors. theta energy: -106.951
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: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1286.155888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.155888 (E_RNA)
where:
Base-Base interactions energy: -896.814
where: short stacking energy: -366.714
Base-Backbone interact. energy: -1.220
local terms energy: -388.122068
where:
bonds (distance) C4'-P energy: -70.338
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -88.209
flat angles P-C4'-P energy: -56.223
tors. eta vs tors. theta energy: -113.109
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: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1179.734263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.734263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.734263 (E_RNA)
where:
Base-Base interactions energy: -830.229
where: short stacking energy: -340.706
Base-Backbone interact. energy: -2.772
local terms energy: -346.733603
where:
bonds (distance) C4'-P energy: -54.339
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -54.207
tors. eta vs tors. theta energy: -101.064
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: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1103.798724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.798724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.798724 (E_RNA)
where:
Base-Base interactions energy: -739.120
where: short stacking energy: -322.916
Base-Backbone interact. energy: -4.589
local terms energy: -360.090159
where:
bonds (distance) C4'-P energy: -73.733
bonds (distance) P-C4' energy: -75.564
flat angles C4'-P-C4' energy: -75.853
flat angles P-C4'-P energy: -54.766
tors. eta vs tors. theta energy: -80.174
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: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -780.086141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.086141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.086141 (E_RNA)
where:
Base-Base interactions energy: -474.490
where: short stacking energy: -216.930
Base-Backbone interact. energy: 6.598
local terms energy: -312.194314
where:
bonds (distance) C4'-P energy: -73.057
bonds (distance) P-C4' energy: -74.412
flat angles C4'-P-C4' energy: -65.594
flat angles P-C4'-P energy: -44.657
tors. eta vs tors. theta energy: -54.474
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: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -458.402017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.402017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.402017 (E_RNA)
where:
Base-Base interactions energy: -208.290
where: short stacking energy: -123.053
Base-Backbone interact. energy: -1.834
local terms energy: -248.277932
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -76.367
flat angles C4'-P-C4' energy: -65.562
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: -7.393
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: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -368.593052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.593052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.593052 (E_RNA)
where:
Base-Base interactions energy: -137.742
where: short stacking energy: -107.307
Base-Backbone interact. energy: -1.277
local terms energy: -229.573860
where:
bonds (distance) C4'-P energy: -61.319
bonds (distance) P-C4' energy: -66.267
flat angles C4'-P-C4' energy: -53.525
flat angles P-C4'-P energy: -50.795
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -313.455768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.455768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.455768 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -85.867
Base-Backbone interact. energy: 1.354
local terms energy: -186.447025
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -77.913
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: 18.725
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: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1387.226036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.226036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.226036 (E_RNA)
where:
Base-Base interactions energy: -951.633
where: short stacking energy: -377.058
Base-Backbone interact. energy: -0.960
local terms energy: -434.633184
where:
bonds (distance) C4'-P energy: -83.049
bonds (distance) P-C4' energy: -72.188
flat angles C4'-P-C4' energy: -95.691
flat angles P-C4'-P energy: -58.077
tors. eta vs tors. theta energy: -125.628
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: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1386.884434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.884434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.884434 (E_RNA)
where:
Base-Base interactions energy: -963.733
where: short stacking energy: -387.803
Base-Backbone interact. energy: -0.177
local terms energy: -422.974079
where:
bonds (distance) C4'-P energy: -79.722
bonds (distance) P-C4' energy: -84.517
flat angles C4'-P-C4' energy: -81.915
flat angles P-C4'-P energy: -56.378
tors. eta vs tors. theta energy: -120.442
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: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1300.449334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.449334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.449334 (E_RNA)
where:
Base-Base interactions energy: -891.653
where: short stacking energy: -361.316
Base-Backbone interact. energy: -2.484
local terms energy: -406.312292
where:
bonds (distance) C4'-P energy: -82.694
bonds (distance) P-C4' energy: -81.715
flat angles C4'-P-C4' energy: -76.823
flat angles P-C4'-P energy: -58.104
tors. eta vs tors. theta energy: -106.977
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: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1239.375295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.375295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.375295 (E_RNA)
where:
Base-Base interactions energy: -850.141
where: short stacking energy: -347.759
Base-Backbone interact. energy: -1.065
local terms energy: -388.169399
where:
bonds (distance) C4'-P energy: -81.651
bonds (distance) P-C4' energy: -72.200
flat angles C4'-P-C4' energy: -81.352
flat angles P-C4'-P energy: -47.886
tors. eta vs tors. theta energy: -105.080
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: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1175.473586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.473586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.473586 (E_RNA)
where:
Base-Base interactions energy: -814.952
where: short stacking energy: -327.653
Base-Backbone interact. energy: -1.974
local terms energy: -358.547380
where:
bonds (distance) C4'-P energy: -63.465
bonds (distance) P-C4' energy: -82.060
flat angles C4'-P-C4' energy: -68.200
flat angles P-C4'-P energy: -49.532
tors. eta vs tors. theta energy: -95.290
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: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1117.801237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.801237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.801237 (E_RNA)
where:
Base-Base interactions energy: -764.003
where: short stacking energy: -305.146
Base-Backbone interact. energy: -2.772
local terms energy: -351.027015
where:
bonds (distance) C4'-P energy: -70.167
bonds (distance) P-C4' energy: -66.950
flat angles C4'-P-C4' energy: -78.380
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -85.474
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: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -805.540984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.540984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.540984 (E_RNA)
where:
Base-Base interactions energy: -484.067
where: short stacking energy: -249.982
Base-Backbone interact. energy: -2.076
local terms energy: -319.398451
where:
bonds (distance) C4'-P energy: -71.828
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -67.310
flat angles P-C4'-P energy: -54.001
tors. eta vs tors. theta energy: -67.249
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: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -510.793346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.793346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.793346 (E_RNA)
where:
Base-Base interactions energy: -231.351
where: short stacking energy: -145.194
Base-Backbone interact. energy: -2.121
local terms energy: -277.321779
where:
bonds (distance) C4'-P energy: -83.292
bonds (distance) P-C4' energy: -75.933
flat angles C4'-P-C4' energy: -66.413
flat angles P-C4'-P energy: -38.703
tors. eta vs tors. theta energy: -12.981
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -344.537632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.537632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.537632 (E_RNA)
where:
Base-Base interactions energy: -131.052
where: short stacking energy: -102.047
Base-Backbone interact. energy: -0.841
local terms energy: -212.644496
where:
bonds (distance) C4'-P energy: -65.262
bonds (distance) P-C4' energy: -66.221
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: 19.653
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: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -326.110119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.110119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.110119 (E_RNA)
where:
Base-Base interactions energy: -111.224
where: short stacking energy: -87.013
Base-Backbone interact. energy: -2.733
local terms energy: -212.153052
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -78.341
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: 11.294
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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1401.212156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.212156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.212156 (E_RNA)
where:
Base-Base interactions energy: -967.331
where: short stacking energy: -390.062
Base-Backbone interact. energy: 3.136
local terms energy: -437.017695
where:
bonds (distance) C4'-P energy: -83.250
bonds (distance) P-C4' energy: -81.932
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -56.614
tors. eta vs tors. theta energy: -133.141
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1318.880950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.880950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.880950 (E_RNA)
where:
Base-Base interactions energy: -916.000
where: short stacking energy: -368.888
Base-Backbone interact. energy: -1.951
local terms energy: -400.929392
where:
bonds (distance) C4'-P energy: -74.633
bonds (distance) P-C4' energy: -69.541
flat angles C4'-P-C4' energy: -94.371
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -109.159
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: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1327.583716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.583716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.583716 (E_RNA)
where:
Base-Base interactions energy: -920.842
where: short stacking energy: -371.275
Base-Backbone interact. energy: -4.398
local terms energy: -402.343833
where:
bonds (distance) C4'-P energy: -78.073
bonds (distance) P-C4' energy: -79.633
flat angles C4'-P-C4' energy: -84.639
flat angles P-C4'-P energy: -54.381
tors. eta vs tors. theta energy: -105.617
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: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1275.907194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.907194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.907194 (E_RNA)
where:
Base-Base interactions energy: -863.348
where: short stacking energy: -364.900
Base-Backbone interact. energy: -0.588
local terms energy: -411.971340
where:
bonds (distance) C4'-P energy: -79.996
bonds (distance) P-C4' energy: -82.938
flat angles C4'-P-C4' energy: -77.771
flat angles P-C4'-P energy: -54.343
tors. eta vs tors. theta energy: -116.924
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: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1176.773042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.773042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.773042 (E_RNA)
where:
Base-Base interactions energy: -795.547
where: short stacking energy: -334.284
Base-Backbone interact. energy: -0.684
local terms energy: -380.541942
where:
bonds (distance) C4'-P energy: -72.930
bonds (distance) P-C4' energy: -79.061
flat angles C4'-P-C4' energy: -79.814
flat angles P-C4'-P energy: -51.091
tors. eta vs tors. theta energy: -97.646
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1133.413708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.413708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.413708 (E_RNA)
where:
Base-Base interactions energy: -786.061
where: short stacking energy: -310.174
Base-Backbone interact. energy: -1.396
local terms energy: -345.956721
where:
bonds (distance) C4'-P energy: -69.800
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -76.297
flat angles P-C4'-P energy: -55.562
tors. eta vs tors. theta energy: -91.394
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: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -790.642246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.642246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.642246 (E_RNA)
where:
Base-Base interactions energy: -517.577
where: short stacking energy: -227.607
Base-Backbone interact. energy: -2.337
local terms energy: -270.727697
where:
bonds (distance) C4'-P energy: -51.655
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -71.029
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -47.489
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: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -489.637264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.637264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.637264 (E_RNA)
where:
Base-Base interactions energy: -246.438
where: short stacking energy: -143.524
Base-Backbone interact. energy: -1.608
local terms energy: -241.590861
where:
bonds (distance) C4'-P energy: -66.556
bonds (distance) P-C4' energy: -75.257
flat angles C4'-P-C4' energy: -61.114
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -13.235
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: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -371.649128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.649128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.649128 (E_RNA)
where:
Base-Base interactions energy: -173.189
where: short stacking energy: -122.900
Base-Backbone interact. energy: 0.515
local terms energy: -198.975076
where:
bonds (distance) C4'-P energy: -67.964
bonds (distance) P-C4' energy: -53.652
flat angles C4'-P-C4' energy: -54.183
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: 8.428
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: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -323.144227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.144227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.144227 (E_RNA)
where:
Base-Base interactions energy: -107.507
where: short stacking energy: -67.972
Base-Backbone interact. energy: 0.660
local terms energy: -216.297696
where:
bonds (distance) C4'-P energy: -71.675
bonds (distance) P-C4' energy: -62.013
flat angles C4'-P-C4' energy: -66.592
flat angles P-C4'-P energy: -24.450
tors. eta vs tors. theta energy: 8.431
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: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1418.910692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.910692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.910692 (E_RNA)
where:
Base-Base interactions energy: -978.238
where: short stacking energy: -403.855
Base-Backbone interact. energy: -0.615
local terms energy: -440.057637
where:
bonds (distance) C4'-P energy: -83.873
bonds (distance) P-C4' energy: -75.716
flat angles C4'-P-C4' energy: -93.120
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: -134.260
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: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1333.238198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.238198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.238198 (E_RNA)
where:
Base-Base interactions energy: -925.385
where: short stacking energy: -367.282
Base-Backbone interact. energy: 1.381
local terms energy: -409.233930
where:
bonds (distance) C4'-P energy: -78.511
bonds (distance) P-C4' energy: -78.488
flat angles C4'-P-C4' energy: -90.013
flat angles P-C4'-P energy: -54.867
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: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1356.006248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.006248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.006248 (E_RNA)
where:
Base-Base interactions energy: -935.021
where: short stacking energy: -398.564
Base-Backbone interact. energy: -0.414
local terms energy: -420.572135
where:
bonds (distance) C4'-P energy: -72.686
bonds (distance) P-C4' energy: -70.116
flat angles C4'-P-C4' energy: -90.089
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -123.993
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: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1259.805158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.805158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.805158 (E_RNA)
where:
Base-Base interactions energy: -864.594
where: short stacking energy: -352.243
Base-Backbone interact. energy: -1.067
local terms energy: -394.144067
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -66.904
flat angles C4'-P-C4' energy: -86.201
flat angles P-C4'-P energy: -61.500
tors. eta vs tors. theta energy: -109.316
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: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1163.698557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.698557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.698557 (E_RNA)
where:
Base-Base interactions energy: -792.411
where: short stacking energy: -333.330
Base-Backbone interact. energy: 2.144
local terms energy: -373.431839
where:
bonds (distance) C4'-P energy: -63.976
bonds (distance) P-C4' energy: -79.315
flat angles C4'-P-C4' energy: -73.738
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -102.388
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: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1120.231854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.231854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.231854 (E_RNA)
where:
Base-Base interactions energy: -750.865
where: short stacking energy: -329.332
Base-Backbone interact. energy: -0.987
local terms energy: -368.380307
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -70.701
flat angles C4'-P-C4' energy: -78.430
flat angles P-C4'-P energy: -51.390
tors. eta vs tors. theta energy: -106.264
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: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -788.258333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.258333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.258333 (E_RNA)
where:
Base-Base interactions energy: -490.482
where: short stacking energy: -222.746
Base-Backbone interact. energy: -0.075
local terms energy: -297.701764
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -73.018
flat angles C4'-P-C4' energy: -74.599
flat angles P-C4'-P energy: -46.459
tors. eta vs tors. theta energy: -41.076
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: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -539.496995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.496995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.496995 (E_RNA)
where:
Base-Base interactions energy: -265.094
where: short stacking energy: -145.452
Base-Backbone interact. energy: -1.530
local terms energy: -272.872718
where:
bonds (distance) C4'-P energy: -69.580
bonds (distance) P-C4' energy: -71.567
flat angles C4'-P-C4' energy: -67.611
flat angles P-C4'-P energy: -47.572
tors. eta vs tors. theta energy: -16.543
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: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -374.547558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.547558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.547558 (E_RNA)
where:
Base-Base interactions energy: -132.476
where: short stacking energy: -109.585
Base-Backbone interact. energy: 1.434
local terms energy: -243.505646
where:
bonds (distance) C4'-P energy: -71.880
bonds (distance) P-C4' energy: -67.363
flat angles C4'-P-C4' energy: -68.875
flat angles P-C4'-P energy: -34.971
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: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -320.350370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.350370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.350370 (E_RNA)
where:
Base-Base interactions energy: -120.534
where: short stacking energy: -84.141
Base-Backbone interact. energy: 0.465
local terms energy: -200.281898
where:
bonds (distance) C4'-P energy: -54.304
bonds (distance) P-C4' energy: -75.179
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -45.240
tors. eta vs tors. theta energy: 27.628
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: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1425.086249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.086249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.086249 (E_RNA)
where:
Base-Base interactions energy: -961.718
where: short stacking energy: -416.554
Base-Backbone interact. energy: -0.420
local terms energy: -462.948614
where:
bonds (distance) C4'-P energy: -82.978
bonds (distance) P-C4' energy: -81.915
flat angles C4'-P-C4' energy: -94.071
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -138.836
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: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1334.818389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.818389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.818389 (E_RNA)
where:
Base-Base interactions energy: -912.642
where: short stacking energy: -356.812
Base-Backbone interact. energy: -2.802
local terms energy: -419.373994
where:
bonds (distance) C4'-P energy: -85.661
bonds (distance) P-C4' energy: -83.971
flat angles C4'-P-C4' energy: -88.656
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: -100.583
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: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1377.702338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.702338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.702338 (E_RNA)
where:
Base-Base interactions energy: -956.131
where: short stacking energy: -408.174
Base-Backbone interact. energy: -4.121
local terms energy: -417.450454
where:
bonds (distance) C4'-P energy: -72.065
bonds (distance) P-C4' energy: -70.474
flat angles C4'-P-C4' energy: -90.157
flat angles P-C4'-P energy: -61.517
tors. eta vs tors. theta energy: -123.237
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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1277.590257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.590257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.590257 (E_RNA)
where:
Base-Base interactions energy: -886.114
where: short stacking energy: -361.267
Base-Backbone interact. energy: -4.676
local terms energy: -386.800113
where:
bonds (distance) C4'-P energy: -81.375
bonds (distance) P-C4' energy: -69.054
flat angles C4'-P-C4' energy: -76.308
flat angles P-C4'-P energy: -54.034
tors. eta vs tors. theta energy: -106.029
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: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1211.957794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.957794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.957794 (E_RNA)
where:
Base-Base interactions energy: -830.867
where: short stacking energy: -332.671
Base-Backbone interact. energy: 3.092
local terms energy: -384.182768
where:
bonds (distance) C4'-P energy: -73.593
bonds (distance) P-C4' energy: -74.877
flat angles C4'-P-C4' energy: -78.636
flat angles P-C4'-P energy: -58.783
tors. eta vs tors. theta energy: -98.293
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: 444
Temperature: 1.150000
Total energy: -1133.881648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.881648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.881648 (E_RNA)
where:
Base-Base interactions energy: -753.278
where: short stacking energy: -309.238
Base-Backbone interact. energy: -1.335
local terms energy: -379.267755
where:
bonds (distance) C4'-P energy: -74.335
bonds (distance) P-C4' energy: -63.569
flat angles C4'-P-C4' energy: -82.662
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -96.662
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: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -773.574839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.574839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.574839 (E_RNA)
where:
Base-Base interactions energy: -486.330
where: short stacking energy: -218.660
Base-Backbone interact. energy: 1.694
local terms energy: -288.937949
where:
bonds (distance) C4'-P energy: -58.327
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -76.673
flat angles P-C4'-P energy: -38.950
tors. eta vs tors. theta energy: -49.706
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: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -582.564039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.564039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.564039 (E_RNA)
where:
Base-Base interactions energy: -309.980
where: short stacking energy: -152.933
Base-Backbone interact. energy: -0.904
local terms energy: -271.679707
where:
bonds (distance) C4'-P energy: -62.229
bonds (distance) P-C4' energy: -80.893
flat angles C4'-P-C4' energy: -63.535
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -14.262
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: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -355.402053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.402053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.402053 (E_RNA)
where:
Base-Base interactions energy: -163.014
where: short stacking energy: -108.396
Base-Backbone interact. energy: -2.244
local terms energy: -190.144340
where:
bonds (distance) C4'-P energy: -64.776
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -33.380
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: 8.934
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -321.926207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.926207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.926207 (E_RNA)
where:
Base-Base interactions energy: -129.533
where: short stacking energy: -86.778
Base-Backbone interact. energy: 3.906
local terms energy: -196.299292
where:
bonds (distance) C4'-P energy: -65.501
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -1.407
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: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1408.467351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.467351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.467351 (E_RNA)
where:
Base-Base interactions energy: -985.048
where: short stacking energy: -415.637
Base-Backbone interact. energy: 0.709
local terms energy: -424.128153
where:
bonds (distance) C4'-P energy: -83.097
bonds (distance) P-C4' energy: -70.673
flat angles C4'-P-C4' energy: -89.252
flat angles P-C4'-P energy: -51.786
tors. eta vs tors. theta energy: -129.321
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: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1378.302309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.302309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.302309 (E_RNA)
where:
Base-Base interactions energy: -953.411
where: short stacking energy: -386.800
Base-Backbone interact. energy: -0.229
local terms energy: -424.662808
where:
bonds (distance) C4'-P energy: -78.020
bonds (distance) P-C4' energy: -80.351
flat angles C4'-P-C4' energy: -84.138
flat angles P-C4'-P energy: -63.241
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: 445
Temperature: 1.000000
Total energy: -1259.865451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.865451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.865451 (E_RNA)
where:
Base-Base interactions energy: -875.287
where: short stacking energy: -343.274
Base-Backbone interact. energy: 0.977
local terms energy: -385.555505
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -83.225
flat angles C4'-P-C4' energy: -85.530
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -92.849
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: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1280.455677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.455677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.455677 (E_RNA)
where:
Base-Base interactions energy: -865.434
where: short stacking energy: -354.969
Base-Backbone interact. energy: -0.979
local terms energy: -414.042675
where:
bonds (distance) C4'-P energy: -74.092
bonds (distance) P-C4' energy: -76.387
flat angles C4'-P-C4' energy: -82.894
flat angles P-C4'-P energy: -62.797
tors. eta vs tors. theta energy: -117.874
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: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1135.986151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.986151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.986151 (E_RNA)
where:
Base-Base interactions energy: -755.266
where: short stacking energy: -334.732
Base-Backbone interact. energy: -1.127
local terms energy: -379.593173
where:
bonds (distance) C4'-P energy: -71.641
bonds (distance) P-C4' energy: -66.832
flat angles C4'-P-C4' energy: -88.348
flat angles P-C4'-P energy: -57.742
tors. eta vs tors. theta energy: -95.030
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: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1102.277328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.277328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.277328 (E_RNA)
where:
Base-Base interactions energy: -738.968
where: short stacking energy: -311.844
Base-Backbone interact. energy: 1.196
local terms energy: -364.505528
where:
bonds (distance) C4'-P energy: -70.329
bonds (distance) P-C4' energy: -66.153
flat angles C4'-P-C4' energy: -79.196
flat angles P-C4'-P energy: -55.632
tors. eta vs tors. theta energy: -93.196
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -815.247551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.247551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.247551 (E_RNA)
where:
Base-Base interactions energy: -537.181
where: short stacking energy: -249.756
Base-Backbone interact. energy: -0.839
local terms energy: -277.227225
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -57.606
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -50.442
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: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -551.119534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.119534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.119534 (E_RNA)
where:
Base-Base interactions energy: -295.250
where: short stacking energy: -149.291
Base-Backbone interact. energy: -1.227
local terms energy: -254.642060
where:
bonds (distance) C4'-P energy: -69.153
bonds (distance) P-C4' energy: -82.169
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -12.788
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: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -352.425512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.425512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.425512 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -100.005
Base-Backbone interact. energy: 0.064
local terms energy: -218.744221
where:
bonds (distance) C4'-P energy: -65.864
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -1.146
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: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -323.517305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.517305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.517305 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -82.482
Base-Backbone interact. energy: -2.921
local terms energy: -214.422742
where:
bonds (distance) C4'-P energy: -68.049
bonds (distance) P-C4' energy: -77.327
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -38.002
tors. eta vs tors. theta energy: 19.298
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: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1415.192342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.192342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.192342 (E_RNA)
where:
Base-Base interactions energy: -974.632
where: short stacking energy: -388.657
Base-Backbone interact. energy: -0.606
local terms energy: -439.954194
where:
bonds (distance) C4'-P energy: -75.273
bonds (distance) P-C4' energy: -86.720
flat angles C4'-P-C4' energy: -91.580
flat angles P-C4'-P energy: -51.202
tors. eta vs tors. theta energy: -135.179
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: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1371.905051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.905051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.905051 (E_RNA)
where:
Base-Base interactions energy: -946.272
where: short stacking energy: -386.581
Base-Backbone interact. energy: 0.643
local terms energy: -426.275454
where:
bonds (distance) C4'-P energy: -79.333
bonds (distance) P-C4' energy: -75.073
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -56.611
tors. eta vs tors. theta energy: -119.792
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: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1293.319185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.319185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.319185 (E_RNA)
where:
Base-Base interactions energy: -901.586
where: short stacking energy: -367.610
Base-Backbone interact. energy: -1.232
local terms energy: -390.500956
where:
bonds (distance) C4'-P energy: -65.513
bonds (distance) P-C4' energy: -75.797
flat angles C4'-P-C4' energy: -88.869
flat angles P-C4'-P energy: -53.017
tors. eta vs tors. theta energy: -107.304
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: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1259.956062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.956062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.956062 (E_RNA)
where:
Base-Base interactions energy: -866.296
where: short stacking energy: -351.454
Base-Backbone interact. energy: -0.405
local terms energy: -393.254534
where:
bonds (distance) C4'-P energy: -74.054
bonds (distance) P-C4' energy: -68.219
flat angles C4'-P-C4' energy: -80.759
flat angles P-C4'-P energy: -53.654
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: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1177.546695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.546695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.546695 (E_RNA)
where:
Base-Base interactions energy: -792.802
where: short stacking energy: -334.804
Base-Backbone interact. energy: 0.139
local terms energy: -384.884441
where:
bonds (distance) C4'-P energy: -62.354
bonds (distance) P-C4' energy: -78.954
flat angles C4'-P-C4' energy: -87.070
flat angles P-C4'-P energy: -63.998
tors. eta vs tors. theta energy: -92.508
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: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1124.983223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.983223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.983223 (E_RNA)
where:
Base-Base interactions energy: -777.543
where: short stacking energy: -309.137
Base-Backbone interact. energy: -2.021
local terms energy: -345.418763
where:
bonds (distance) C4'-P energy: -73.408
bonds (distance) P-C4' energy: -68.312
flat angles C4'-P-C4' energy: -67.682
flat angles P-C4'-P energy: -47.182
tors. eta vs tors. theta energy: -88.835
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: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -814.664974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.664974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.664974 (E_RNA)
where:
Base-Base interactions energy: -518.949
where: short stacking energy: -223.743
Base-Backbone interact. energy: -3.343
local terms energy: -292.373384
where:
bonds (distance) C4'-P energy: -66.619
bonds (distance) P-C4' energy: -76.381
flat angles C4'-P-C4' energy: -68.280
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -41.633
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: 446
Temperature: 1.250000
Total energy: -580.456882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.456882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.456882 (E_RNA)
where:
Base-Base interactions energy: -330.240
where: short stacking energy: -169.337
Base-Backbone interact. energy: 2.844
local terms energy: -253.061346
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -77.416
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -37.747
tors. eta vs tors. theta energy: -10.764
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: 446
Temperature: 1.300000
Total energy: -344.710484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.710484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.710484 (E_RNA)
where:
Base-Base interactions energy: -140.203
where: short stacking energy: -109.155
Base-Backbone interact. energy: -1.464
local terms energy: -203.043123
where:
bonds (distance) C4'-P energy: -45.785
bonds (distance) P-C4' energy: -67.981
flat angles C4'-P-C4' energy: -67.520
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: 2.511
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: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -314.503757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.503757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.503757 (E_RNA)
where:
Base-Base interactions energy: -114.949
where: short stacking energy: -86.907
Base-Backbone interact. energy: 3.489
local terms energy: -203.043694
where:
bonds (distance) C4'-P energy: -65.379
bonds (distance) P-C4' energy: -73.165
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: 17.030
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1417.720330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.720330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.720330 (E_RNA)
where:
Base-Base interactions energy: -992.607
where: short stacking energy: -409.918
Base-Backbone interact. energy: 0.938
local terms energy: -426.051312
where:
bonds (distance) C4'-P energy: -73.080
bonds (distance) P-C4' energy: -80.344
flat angles C4'-P-C4' energy: -89.708
flat angles P-C4'-P energy: -56.550
tors. eta vs tors. theta energy: -126.368
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1380.896235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.896235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.896235 (E_RNA)
where:
Base-Base interactions energy: -959.096
where: short stacking energy: -388.630
Base-Backbone interact. energy: -2.637
local terms energy: -419.163064
where:
bonds (distance) C4'-P energy: -78.702
bonds (distance) P-C4' energy: -70.826
flat angles C4'-P-C4' energy: -78.371
flat angles P-C4'-P energy: -60.669
tors. eta vs tors. theta energy: -130.596
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: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1315.580789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.580789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.580789 (E_RNA)
where:
Base-Base interactions energy: -923.365
where: short stacking energy: -369.485
Base-Backbone interact. energy: -4.205
local terms energy: -388.011041
where:
bonds (distance) C4'-P energy: -74.014
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -61.259
tors. eta vs tors. theta energy: -105.325
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: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1288.712686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.712686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.712686 (E_RNA)
where:
Base-Base interactions energy: -896.947
where: short stacking energy: -372.148
Base-Backbone interact. energy: 0.877
local terms energy: -392.642780
where:
bonds (distance) C4'-P energy: -71.824
bonds (distance) P-C4' energy: -74.825
flat angles C4'-P-C4' energy: -92.819
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -104.808
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: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1176.167171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.167171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.167171 (E_RNA)
where:
Base-Base interactions energy: -784.617
where: short stacking energy: -345.311
Base-Backbone interact. energy: -1.864
local terms energy: -389.686233
where:
bonds (distance) C4'-P energy: -76.015
bonds (distance) P-C4' energy: -77.932
flat angles C4'-P-C4' energy: -78.163
flat angles P-C4'-P energy: -52.025
tors. eta vs tors. theta energy: -105.552
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: 447
Temperature: 1.150000
Total energy: -1134.366877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.366877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.366877 (E_RNA)
where:
Base-Base interactions energy: -762.536
where: short stacking energy: -314.429
Base-Backbone interact. energy: -1.338
local terms energy: -370.492875
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -74.466
flat angles C4'-P-C4' energy: -79.534
flat angles P-C4'-P energy: -55.512
tors. eta vs tors. theta energy: -96.330
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: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -829.972843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.972843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.972843 (E_RNA)
where:
Base-Base interactions energy: -510.868
where: short stacking energy: -215.566
Base-Backbone interact. energy: -3.011
local terms energy: -316.094004
where:
bonds (distance) C4'-P energy: -73.595
bonds (distance) P-C4' energy: -64.981
flat angles C4'-P-C4' energy: -66.691
flat angles P-C4'-P energy: -55.465
tors. eta vs tors. theta energy: -55.362
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: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -558.262880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.262880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.262880 (E_RNA)
where:
Base-Base interactions energy: -320.816
where: short stacking energy: -149.275
Base-Backbone interact. energy: 0.755
local terms energy: -238.201643
where:
bonds (distance) C4'-P energy: -68.225
bonds (distance) P-C4' energy: -60.239
flat angles C4'-P-C4' energy: -63.968
flat angles P-C4'-P energy: -42.884
tors. eta vs tors. theta energy: -2.886
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: 447
Temperature: 1.300000
Total energy: -351.205436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.205436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.205436 (E_RNA)
where:
Base-Base interactions energy: -122.301
where: short stacking energy: -94.306
Base-Backbone interact. energy: -0.869
local terms energy: -228.034551
where:
bonds (distance) C4'-P energy: -69.705
bonds (distance) P-C4' energy: -73.189
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -36.512
tors. eta vs tors. theta energy: 19.096
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: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -322.609712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.609712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.609712 (E_RNA)
where:
Base-Base interactions energy: -108.295
where: short stacking energy: -66.562
Base-Backbone interact. energy: -1.488
local terms energy: -212.826843
where:
bonds (distance) C4'-P energy: -63.709
bonds (distance) P-C4' energy: -83.408
flat angles C4'-P-C4' energy: -51.987
flat angles P-C4'-P energy: -34.510
tors. eta vs tors. theta energy: 20.788
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: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1406.842021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.842021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.842021 (E_RNA)
where:
Base-Base interactions energy: -985.147
where: short stacking energy: -388.371
Base-Backbone interact. energy: 0.115
local terms energy: -421.810297
where:
bonds (distance) C4'-P energy: -73.417
bonds (distance) P-C4' energy: -68.253
flat angles C4'-P-C4' energy: -89.995
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -124.404
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: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1372.262877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.262877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.262877 (E_RNA)
where:
Base-Base interactions energy: -946.844
where: short stacking energy: -385.810
Base-Backbone interact. energy: -0.998
local terms energy: -424.420635
where:
bonds (distance) C4'-P energy: -71.690
bonds (distance) P-C4' energy: -76.824
flat angles C4'-P-C4' energy: -94.324
flat angles P-C4'-P energy: -53.888
tors. eta vs tors. theta energy: -127.695
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: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1314.690183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.690183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.690183 (E_RNA)
where:
Base-Base interactions energy: -890.791
where: short stacking energy: -365.834
Base-Backbone interact. energy: -1.721
local terms energy: -422.178414
where:
bonds (distance) C4'-P energy: -89.419
bonds (distance) P-C4' energy: -71.130
flat angles C4'-P-C4' energy: -90.267
flat angles P-C4'-P energy: -63.089
tors. eta vs tors. theta energy: -108.274
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: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1249.183395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.183395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.183395 (E_RNA)
where:
Base-Base interactions energy: -855.591
where: short stacking energy: -330.171
Base-Backbone interact. energy: -1.548
local terms energy: -392.044154
where:
bonds (distance) C4'-P energy: -71.894
bonds (distance) P-C4' energy: -75.779
flat angles C4'-P-C4' energy: -91.242
flat angles P-C4'-P energy: -52.389
tors. eta vs tors. theta energy: -100.740
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: 448
Temperature: 1.100000
Total energy: -1151.634650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.634650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.634650 (E_RNA)
where:
Base-Base interactions energy: -769.531
where: short stacking energy: -329.984
Base-Backbone interact. energy: -0.923
local terms energy: -381.180838
where:
bonds (distance) C4'-P energy: -77.356
bonds (distance) P-C4' energy: -69.494
flat angles C4'-P-C4' energy: -83.006
flat angles P-C4'-P energy: -49.779
tors. eta vs tors. theta energy: -101.547
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: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1142.213500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.213500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.213500 (E_RNA)
where:
Base-Base interactions energy: -776.242
where: short stacking energy: -344.626
Base-Backbone interact. energy: -2.392
local terms energy: -363.579508
where:
bonds (distance) C4'-P energy: -64.861
bonds (distance) P-C4' energy: -76.631
flat angles C4'-P-C4' energy: -76.337
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -102.743
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -810.083232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.083232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.083232 (E_RNA)
where:
Base-Base interactions energy: -499.472
where: short stacking energy: -213.927
Base-Backbone interact. energy: -1.868
local terms energy: -308.743467
where:
bonds (distance) C4'-P energy: -55.476
bonds (distance) P-C4' energy: -81.333
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -47.203
tors. eta vs tors. theta energy: -46.580
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: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -550.827266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.827266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.827266 (E_RNA)
where:
Base-Base interactions energy: -290.347
where: short stacking energy: -154.173
Base-Backbone interact. energy: 0.740
local terms energy: -261.220775
where:
bonds (distance) C4'-P energy: -55.053
bonds (distance) P-C4' energy: -79.710
flat angles C4'-P-C4' energy: -64.220
flat angles P-C4'-P energy: -47.764
tors. eta vs tors. theta energy: -14.474
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: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -350.351134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.351134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.351134 (E_RNA)
where:
Base-Base interactions energy: -138.430
where: short stacking energy: -95.314
Base-Backbone interact. energy: 6.303
local terms energy: -218.223306
where:
bonds (distance) C4'-P energy: -71.618
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -52.320
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: 15.111
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -343.147077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.147077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.147077 (E_RNA)
where:
Base-Base interactions energy: -102.742
where: short stacking energy: -79.738
Base-Backbone interact. energy: -2.505
local terms energy: -237.900419
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -71.081
flat angles C4'-P-C4' energy: -71.781
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: 15.083
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1403.515473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.515473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.515473 (E_RNA)
where:
Base-Base interactions energy: -960.425
where: short stacking energy: -402.710
Base-Backbone interact. energy: 0.059
local terms energy: -443.149347
where:
bonds (distance) C4'-P energy: -82.929
bonds (distance) P-C4' energy: -83.149
flat angles C4'-P-C4' energy: -87.522
flat angles P-C4'-P energy: -65.244
tors. eta vs tors. theta energy: -124.305
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: 449
Temperature: 0.950000
Total energy: -1399.797945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.797945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.797945 (E_RNA)
where:
Base-Base interactions energy: -977.928
where: short stacking energy: -406.450
Base-Backbone interact. energy: 3.912
local terms energy: -425.781990
where:
bonds (distance) C4'-P energy: -77.899
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -82.387
flat angles P-C4'-P energy: -58.380
tors. eta vs tors. theta energy: -127.603
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: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1281.624545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.624545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.624545 (E_RNA)
where:
Base-Base interactions energy: -894.390
where: short stacking energy: -362.615
Base-Backbone interact. energy: -0.274
local terms energy: -386.960025
where:
bonds (distance) C4'-P energy: -77.475
bonds (distance) P-C4' energy: -69.753
flat angles C4'-P-C4' energy: -83.611
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -105.068
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: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1233.490328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.490328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.490328 (E_RNA)
where:
Base-Base interactions energy: -847.394
where: short stacking energy: -314.475
Base-Backbone interact. energy: -2.358
local terms energy: -383.738219
where:
bonds (distance) C4'-P energy: -74.407
bonds (distance) P-C4' energy: -78.585
flat angles C4'-P-C4' energy: -83.191
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -99.387
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: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1142.093179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.093179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.093179 (E_RNA)
where:
Base-Base interactions energy: -767.129
where: short stacking energy: -340.261
Base-Backbone interact. energy: -0.455
local terms energy: -374.509737
where:
bonds (distance) C4'-P energy: -78.291
bonds (distance) P-C4' energy: -71.666
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -96.558
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: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1150.449611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.449611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.449611 (E_RNA)
where:
Base-Base interactions energy: -781.946
where: short stacking energy: -345.623
Base-Backbone interact. energy: -1.264
local terms energy: -367.239660
where:
bonds (distance) C4'-P energy: -65.211
bonds (distance) P-C4' energy: -63.772
flat angles C4'-P-C4' energy: -80.374
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -106.989
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: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -820.054574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.054574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.054574 (E_RNA)
where:
Base-Base interactions energy: -531.673
where: short stacking energy: -222.127
Base-Backbone interact. energy: 0.249
local terms energy: -288.630254
where:
bonds (distance) C4'-P energy: -71.436
bonds (distance) P-C4' energy: -50.994
flat angles C4'-P-C4' energy: -79.456
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -48.285
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: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -650.449924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.449924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.449924 (E_RNA)
where:
Base-Base interactions energy: -359.013
where: short stacking energy: -178.485
Base-Backbone interact. energy: -1.330
local terms energy: -290.107229
where:
bonds (distance) C4'-P energy: -71.080
bonds (distance) P-C4' energy: -69.486
flat angles C4'-P-C4' energy: -71.065
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -31.474
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: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -352.001156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.001156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.001156 (E_RNA)
where:
Base-Base interactions energy: -138.619
where: short stacking energy: -89.330
Base-Backbone interact. energy: -0.414
local terms energy: -212.968245
where:
bonds (distance) C4'-P energy: -74.795
bonds (distance) P-C4' energy: -62.157
flat angles C4'-P-C4' energy: -63.442
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: 15.263
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: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -311.675720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.675720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.675720 (E_RNA)
where:
Base-Base interactions energy: -99.510
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.437
local terms energy: -211.727906
where:
bonds (distance) C4'-P energy: -67.385
bonds (distance) P-C4' energy: -66.132
flat angles C4'-P-C4' energy: -63.424
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: 17.552
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: 450
Temperature: 0.900000
Total energy: -1407.976400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.976400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.976400 (E_RNA)
where:
Base-Base interactions energy: -973.699
where: short stacking energy: -393.049
Base-Backbone interact. energy: -1.713
local terms energy: -432.564091
where:
bonds (distance) C4'-P energy: -82.990
bonds (distance) P-C4' energy: -74.011
flat angles C4'-P-C4' energy: -84.341
flat angles P-C4'-P energy: -68.876
tors. eta vs tors. theta energy: -122.346
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: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1400.735549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.735549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.735549 (E_RNA)
where:
Base-Base interactions energy: -976.569
where: short stacking energy: -398.178
Base-Backbone interact. energy: 0.362
local terms energy: -424.528748
where:
bonds (distance) C4'-P energy: -78.662
bonds (distance) P-C4' energy: -76.278
flat angles C4'-P-C4' energy: -87.361
flat angles P-C4'-P energy: -57.101
tors. eta vs tors. theta energy: -125.126
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: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1282.712793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.712793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.712793 (E_RNA)
where:
Base-Base interactions energy: -879.221
where: short stacking energy: -352.312
Base-Backbone interact. energy: -3.305
local terms energy: -400.186574
where:
bonds (distance) C4'-P energy: -82.328
bonds (distance) P-C4' energy: -66.227
flat angles C4'-P-C4' energy: -84.091
flat angles P-C4'-P energy: -62.132
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: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1251.574832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.574832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.574832 (E_RNA)
where:
Base-Base interactions energy: -846.092
where: short stacking energy: -352.867
Base-Backbone interact. energy: 0.081
local terms energy: -405.564028
where:
bonds (distance) C4'-P energy: -75.950
bonds (distance) P-C4' energy: -76.919
flat angles C4'-P-C4' energy: -81.811
flat angles P-C4'-P energy: -57.721
tors. eta vs tors. theta energy: -113.163
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: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1180.172774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.172774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.172774 (E_RNA)
where:
Base-Base interactions energy: -788.539
where: short stacking energy: -351.629
Base-Backbone interact. energy: -1.394
local terms energy: -390.240394
where:
bonds (distance) C4'-P energy: -78.618
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -81.656
flat angles P-C4'-P energy: -58.268
tors. eta vs tors. theta energy: -108.967
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: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1115.985312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.985312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.985312 (E_RNA)
where:
Base-Base interactions energy: -742.182
where: short stacking energy: -332.139
Base-Backbone interact. energy: 2.356
local terms energy: -376.159321
where:
bonds (distance) C4'-P energy: -71.373
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -86.395
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -98.562
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: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -835.940976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.940976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.940976 (E_RNA)
where:
Base-Base interactions energy: -525.746
where: short stacking energy: -221.566
Base-Backbone interact. energy: 0.534
local terms energy: -310.729067
where:
bonds (distance) C4'-P energy: -73.423
bonds (distance) P-C4' energy: -75.127
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -53.012
tors. eta vs tors. theta energy: -50.201
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: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -544.668663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.668663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.668663 (E_RNA)
where:
Base-Base interactions energy: -295.240
where: short stacking energy: -168.292
Base-Backbone interact. energy: -2.262
local terms energy: -247.167087
where:
bonds (distance) C4'-P energy: -54.678
bonds (distance) P-C4' energy: -77.329
flat angles C4'-P-C4' energy: -73.443
flat angles P-C4'-P energy: -33.142
tors. eta vs tors. theta energy: -8.575
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: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -331.579969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.579969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.579969 (E_RNA)
where:
Base-Base interactions energy: -131.177
where: short stacking energy: -115.124
Base-Backbone interact. energy: 2.709
local terms energy: -203.111710
where:
bonds (distance) C4'-P energy: -63.266
bonds (distance) P-C4' energy: -62.825
flat angles C4'-P-C4' energy: -44.070
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -4.906
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: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -324.676496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.676496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.676496 (E_RNA)
where:
Base-Base interactions energy: -125.722
where: short stacking energy: -107.021
Base-Backbone interact. energy: 0.103
local terms energy: -199.058383
where:
bonds (distance) C4'-P energy: -57.313
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -58.036
flat angles P-C4'-P energy: -33.856
tors. eta vs tors. theta energy: 5.573
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: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1379.620930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.620930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.620930 (E_RNA)
where:
Base-Base interactions energy: -943.417
where: short stacking energy: -386.513
Base-Backbone interact. energy: 0.420
local terms energy: -436.623451
where:
bonds (distance) C4'-P energy: -81.268
bonds (distance) P-C4' energy: -77.969
flat angles C4'-P-C4' energy: -89.556
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: -118.740
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: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1392.630543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.630543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.630543 (E_RNA)
where:
Base-Base interactions energy: -949.333
where: short stacking energy: -385.461
Base-Backbone interact. energy: -0.414
local terms energy: -442.883550
where:
bonds (distance) C4'-P energy: -80.717
bonds (distance) P-C4' energy: -83.555
flat angles C4'-P-C4' energy: -90.815
flat angles P-C4'-P energy: -52.717
tors. eta vs tors. theta energy: -135.080
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: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1273.662684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.662684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.662684 (E_RNA)
where:
Base-Base interactions energy: -877.164
where: short stacking energy: -335.920
Base-Backbone interact. energy: -3.712
local terms energy: -392.786958
where:
bonds (distance) C4'-P energy: -81.375
bonds (distance) P-C4' energy: -73.417
flat angles C4'-P-C4' energy: -75.942
flat angles P-C4'-P energy: -59.206
tors. eta vs tors. theta energy: -102.847
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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1253.840830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.840830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.840830 (E_RNA)
where:
Base-Base interactions energy: -872.861
where: short stacking energy: -356.329
Base-Backbone interact. energy: 0.483
local terms energy: -381.462878
where:
bonds (distance) C4'-P energy: -66.461
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -78.250
flat angles P-C4'-P energy: -56.424
tors. eta vs tors. theta energy: -115.471
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: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1215.910286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.910286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.910286 (E_RNA)
where:
Base-Base interactions energy: -825.967
where: short stacking energy: -354.316
Base-Backbone interact. energy: -1.724
local terms energy: -388.219124
where:
bonds (distance) C4'-P energy: -53.534
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -80.282
flat angles P-C4'-P energy: -61.751
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: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1060.520376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.520376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.520376 (E_RNA)
where:
Base-Base interactions energy: -711.407
where: short stacking energy: -314.743
Base-Backbone interact. energy: 1.454
local terms energy: -350.568227
where:
bonds (distance) C4'-P energy: -53.659
bonds (distance) P-C4' energy: -67.692
flat angles C4'-P-C4' energy: -82.512
flat angles P-C4'-P energy: -54.885
tors. eta vs tors. theta energy: -91.821
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: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -731.054819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.054819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.054819 (E_RNA)
where:
Base-Base interactions energy: -451.905
where: short stacking energy: -217.515
Base-Backbone interact. energy: 4.362
local terms energy: -283.510867
where:
bonds (distance) C4'-P energy: -68.240
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -50.134
tors. eta vs tors. theta energy: -38.757
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: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -544.553261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.553261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.553261 (E_RNA)
where:
Base-Base interactions energy: -293.168
where: short stacking energy: -154.621
Base-Backbone interact. energy: 0.348
local terms energy: -251.733445
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -69.086
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -8.709
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -369.241505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.241505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.241505 (E_RNA)
where:
Base-Base interactions energy: -138.161
where: short stacking energy: -101.729
Base-Backbone interact. energy: -2.074
local terms energy: -229.007427
where:
bonds (distance) C4'-P energy: -62.079
bonds (distance) P-C4' energy: -71.495
flat angles C4'-P-C4' energy: -65.190
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: 5.063
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: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -313.930876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.930876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.930876 (E_RNA)
where:
Base-Base interactions energy: -131.607
where: short stacking energy: -72.809
Base-Backbone interact. energy: 1.007
local terms energy: -183.331415
where:
bonds (distance) C4'-P energy: -64.674
bonds (distance) P-C4' energy: -56.991
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -32.266
tors. eta vs tors. theta energy: 9.290
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: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1425.490044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.490044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.490044 (E_RNA)
where:
Base-Base interactions energy: -975.484
where: short stacking energy: -405.164
Base-Backbone interact. energy: -1.282
local terms energy: -448.723659
where:
bonds (distance) C4'-P energy: -73.634
bonds (distance) P-C4' energy: -77.813
flat angles C4'-P-C4' energy: -92.198
flat angles P-C4'-P energy: -70.075
tors. eta vs tors. theta energy: -135.004
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: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1347.367333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.367333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.367333 (E_RNA)
where:
Base-Base interactions energy: -936.475
where: short stacking energy: -389.030
Base-Backbone interact. energy: -2.045
local terms energy: -408.847480
where:
bonds (distance) C4'-P energy: -69.463
bonds (distance) P-C4' energy: -74.753
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -61.134
tors. eta vs tors. theta energy: -122.072
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1301.524400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.524400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.524400 (E_RNA)
where:
Base-Base interactions energy: -912.932
where: short stacking energy: -343.347
Base-Backbone interact. energy: -3.179
local terms energy: -385.413774
where:
bonds (distance) C4'-P energy: -74.497
bonds (distance) P-C4' energy: -74.687
flat angles C4'-P-C4' energy: -81.496
flat angles P-C4'-P energy: -48.883
tors. eta vs tors. theta energy: -105.851
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: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1273.570744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.570744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.570744 (E_RNA)
where:
Base-Base interactions energy: -873.049
where: short stacking energy: -366.945
Base-Backbone interact. energy: -0.614
local terms energy: -399.908102
where:
bonds (distance) C4'-P energy: -65.090
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -84.013
flat angles P-C4'-P energy: -61.908
tors. eta vs tors. theta energy: -113.779
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: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1184.554074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.554074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.554074 (E_RNA)
where:
Base-Base interactions energy: -799.725
where: short stacking energy: -337.522
Base-Backbone interact. energy: -2.103
local terms energy: -382.726568
where:
bonds (distance) C4'-P energy: -71.288
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -80.333
flat angles P-C4'-P energy: -56.267
tors. eta vs tors. theta energy: -108.488
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: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1077.689078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.689078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.689078 (E_RNA)
where:
Base-Base interactions energy: -725.584
where: short stacking energy: -302.193
Base-Backbone interact. energy: 0.259
local terms energy: -352.363824
where:
bonds (distance) C4'-P energy: -69.449
bonds (distance) P-C4' energy: -70.509
flat angles C4'-P-C4' energy: -75.827
flat angles P-C4'-P energy: -53.190
tors. eta vs tors. theta energy: -83.389
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: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -750.464959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.464959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.464959 (E_RNA)
where:
Base-Base interactions energy: -441.711
where: short stacking energy: -213.363
Base-Backbone interact. energy: -0.652
local terms energy: -308.101662
where:
bonds (distance) C4'-P energy: -64.228
bonds (distance) P-C4' energy: -66.489
flat angles C4'-P-C4' energy: -73.887
flat angles P-C4'-P energy: -58.583
tors. eta vs tors. theta energy: -44.916
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -564.993670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.993670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.993670 (E_RNA)
where:
Base-Base interactions energy: -303.411
where: short stacking energy: -159.164
Base-Backbone interact. energy: -1.485
local terms energy: -260.098153
where:
bonds (distance) C4'-P energy: -67.415
bonds (distance) P-C4' energy: -57.032
flat angles C4'-P-C4' energy: -62.535
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -25.574
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: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -364.280345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.280345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.280345 (E_RNA)
where:
Base-Base interactions energy: -167.367
where: short stacking energy: -118.674
Base-Backbone interact. energy: -2.044
local terms energy: -194.869541
where:
bonds (distance) C4'-P energy: -59.810
bonds (distance) P-C4' energy: -62.886
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -39.066
tors. eta vs tors. theta energy: 12.203
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: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -331.362533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.362533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.362533 (E_RNA)
where:
Base-Base interactions energy: -122.146
where: short stacking energy: -108.691
Base-Backbone interact. energy: 2.595
local terms energy: -211.811500
where:
bonds (distance) C4'-P energy: -55.431
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -52.699
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -2.067
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: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1416.579578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.579578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.579578 (E_RNA)
where:
Base-Base interactions energy: -963.377
where: short stacking energy: -397.216
Base-Backbone interact. energy: -1.248
local terms energy: -451.955144
where:
bonds (distance) C4'-P energy: -77.740
bonds (distance) P-C4' energy: -80.399
flat angles C4'-P-C4' energy: -99.831
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -131.279
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: 453
Temperature: 0.950000
Total energy: -1363.728826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.728826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.728826 (E_RNA)
where:
Base-Base interactions energy: -953.208
where: short stacking energy: -374.791
Base-Backbone interact. energy: -0.764
local terms energy: -409.756605
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -81.069
flat angles C4'-P-C4' energy: -82.408
flat angles P-C4'-P energy: -63.846
tors. eta vs tors. theta energy: -113.262
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: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1312.880713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.880713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.880713 (E_RNA)
where:
Base-Base interactions energy: -919.748
where: short stacking energy: -357.278
Base-Backbone interact. energy: -2.423
local terms energy: -390.709451
where:
bonds (distance) C4'-P energy: -65.950
bonds (distance) P-C4' energy: -81.282
flat angles C4'-P-C4' energy: -86.876
flat angles P-C4'-P energy: -53.564
tors. eta vs tors. theta energy: -103.038
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: 453
Temperature: 1.050000
Total energy: -1238.323043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.323043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.323043 (E_RNA)
where:
Base-Base interactions energy: -824.744
where: short stacking energy: -340.601
Base-Backbone interact. energy: -1.409
local terms energy: -412.169533
where:
bonds (distance) C4'-P energy: -77.308
bonds (distance) P-C4' energy: -72.600
flat angles C4'-P-C4' energy: -90.537
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -104.589
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: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1202.464146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.464146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.464146 (E_RNA)
where:
Base-Base interactions energy: -818.126
where: short stacking energy: -339.302
Base-Backbone interact. energy: -1.214
local terms energy: -383.124619
where:
bonds (distance) C4'-P energy: -71.374
bonds (distance) P-C4' energy: -77.743
flat angles C4'-P-C4' energy: -81.895
flat angles P-C4'-P energy: -53.607
tors. eta vs tors. theta energy: -98.506
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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1080.153186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.153186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.153186 (E_RNA)
where:
Base-Base interactions energy: -732.427
where: short stacking energy: -316.792
Base-Backbone interact. energy: -2.363
local terms energy: -345.363030
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -76.045
flat angles C4'-P-C4' energy: -75.930
flat angles P-C4'-P energy: -52.165
tors. eta vs tors. theta energy: -86.957
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: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -718.420444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.420444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.420444 (E_RNA)
where:
Base-Base interactions energy: -433.628
where: short stacking energy: -222.231
Base-Backbone interact. energy: -1.945
local terms energy: -282.847364
where:
bonds (distance) C4'-P energy: -50.935
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -65.881
flat angles P-C4'-P energy: -46.299
tors. eta vs tors. theta energy: -58.993
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: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -616.371992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.371992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.371992 (E_RNA)
where:
Base-Base interactions energy: -359.995
where: short stacking energy: -192.705
Base-Backbone interact. energy: 0.247
local terms energy: -256.624490
where:
bonds (distance) C4'-P energy: -56.553
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -57.406
flat angles P-C4'-P energy: -52.531
tors. eta vs tors. theta energy: -19.371
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: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -340.107543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.107543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.107543 (E_RNA)
where:
Base-Base interactions energy: -139.652
where: short stacking energy: -76.504
Base-Backbone interact. energy: -1.061
local terms energy: -199.394906
where:
bonds (distance) C4'-P energy: -72.467
bonds (distance) P-C4' energy: -78.797
flat angles C4'-P-C4' energy: -47.055
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: 10.759
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: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -312.080905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.080905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.080905 (E_RNA)
where:
Base-Base interactions energy: -102.413
where: short stacking energy: -99.997
Base-Backbone interact. energy: 1.622
local terms energy: -211.289485
where:
bonds (distance) C4'-P energy: -61.581
bonds (distance) P-C4' energy: -63.706
flat angles C4'-P-C4' energy: -52.737
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: 7.135
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: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1419.241325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.241325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.241325 (E_RNA)
where:
Base-Base interactions energy: -979.045
where: short stacking energy: -403.292
Base-Backbone interact. energy: -1.156
local terms energy: -439.040157
where:
bonds (distance) C4'-P energy: -71.364
bonds (distance) P-C4' energy: -80.493
flat angles C4'-P-C4' energy: -97.581
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: -133.183
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1370.615173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.615173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.615173 (E_RNA)
where:
Base-Base interactions energy: -961.150
where: short stacking energy: -378.022
Base-Backbone interact. energy: 0.094
local terms energy: -409.559303
where:
bonds (distance) C4'-P energy: -70.855
bonds (distance) P-C4' energy: -78.075
flat angles C4'-P-C4' energy: -79.732
flat angles P-C4'-P energy: -55.911
tors. eta vs tors. theta energy: -124.986
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: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1279.232501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.232501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.232501 (E_RNA)
where:
Base-Base interactions energy: -916.661
where: short stacking energy: -357.477
Base-Backbone interact. energy: -4.803
local terms energy: -357.768669
where:
bonds (distance) C4'-P energy: -71.739
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -81.348
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -99.579
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: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1245.895216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.895216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.895216 (E_RNA)
where:
Base-Base interactions energy: -849.083
where: short stacking energy: -368.453
Base-Backbone interact. energy: -1.196
local terms energy: -395.615668
where:
bonds (distance) C4'-P energy: -73.734
bonds (distance) P-C4' energy: -69.797
flat angles C4'-P-C4' energy: -76.641
flat angles P-C4'-P energy: -49.008
tors. eta vs tors. theta energy: -126.435
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: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1202.712266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.712266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.712266 (E_RNA)
where:
Base-Base interactions energy: -820.470
where: short stacking energy: -356.943
Base-Backbone interact. energy: -1.949
local terms energy: -380.293284
where:
bonds (distance) C4'-P energy: -72.297
bonds (distance) P-C4' energy: -69.718
flat angles C4'-P-C4' energy: -74.921
flat angles P-C4'-P energy: -54.675
tors. eta vs tors. theta energy: -108.683
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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1070.163287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.163287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.163287 (E_RNA)
where:
Base-Base interactions energy: -702.969
where: short stacking energy: -299.074
Base-Backbone interact. energy: -3.337
local terms energy: -363.857340
where:
bonds (distance) C4'-P energy: -64.724
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -56.307
tors. eta vs tors. theta energy: -97.751
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: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -719.132206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.132206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.132206 (E_RNA)
where:
Base-Base interactions energy: -426.056
where: short stacking energy: -185.106
Base-Backbone interact. energy: 3.699
local terms energy: -296.775919
where:
bonds (distance) C4'-P energy: -80.937
bonds (distance) P-C4' energy: -78.907
flat angles C4'-P-C4' energy: -54.013
flat angles P-C4'-P energy: -48.269
tors. eta vs tors. theta energy: -34.651
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -612.125236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.125236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.125236 (E_RNA)
where:
Base-Base interactions energy: -335.925
where: short stacking energy: -184.123
Base-Backbone interact. energy: 0.434
local terms energy: -276.634522
where:
bonds (distance) C4'-P energy: -79.449
bonds (distance) P-C4' energy: -56.655
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -32.280
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: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -383.993988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.993988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.993988 (E_RNA)
where:
Base-Base interactions energy: -167.804
where: short stacking energy: -113.201
Base-Backbone interact. energy: -1.977
local terms energy: -214.212937
where:
bonds (distance) C4'-P energy: -65.515
bonds (distance) P-C4' energy: -67.263
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: -7.771
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: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -324.373746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.373746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.373746 (E_RNA)
where:
Base-Base interactions energy: -112.720
where: short stacking energy: -97.616
Base-Backbone interact. energy: -0.947
local terms energy: -210.706225
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -70.694
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -29.240
tors. eta vs tors. theta energy: 7.617
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: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1426.022988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.022988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.022988 (E_RNA)
where:
Base-Base interactions energy: -978.661
where: short stacking energy: -417.229
Base-Backbone interact. energy: -0.708
local terms energy: -446.653751
where:
bonds (distance) C4'-P energy: -85.386
bonds (distance) P-C4' energy: -78.444
flat angles C4'-P-C4' energy: -92.402
flat angles P-C4'-P energy: -59.628
tors. eta vs tors. theta energy: -130.794
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: 455
Temperature: 0.950000
Total energy: -1368.470686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.470686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.470686 (E_RNA)
where:
Base-Base interactions energy: -979.679
where: short stacking energy: -387.479
Base-Backbone interact. energy: 3.314
local terms energy: -392.105397
where:
bonds (distance) C4'-P energy: -73.074
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -83.108
flat angles P-C4'-P energy: -53.691
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: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1257.860528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.860528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.860528 (E_RNA)
where:
Base-Base interactions energy: -888.155
where: short stacking energy: -340.606
Base-Backbone interact. energy: -1.688
local terms energy: -368.018451
where:
bonds (distance) C4'-P energy: -67.222
bonds (distance) P-C4' energy: -75.773
flat angles C4'-P-C4' energy: -79.362
flat angles P-C4'-P energy: -58.198
tors. eta vs tors. theta energy: -87.463
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: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1228.498400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.498400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.498400 (E_RNA)
where:
Base-Base interactions energy: -825.881
where: short stacking energy: -373.176
Base-Backbone interact. energy: -0.636
local terms energy: -401.981786
where:
bonds (distance) C4'-P energy: -68.386
bonds (distance) P-C4' energy: -76.548
flat angles C4'-P-C4' energy: -83.983
flat angles P-C4'-P energy: -59.701
tors. eta vs tors. theta energy: -113.364
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: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1189.484778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.484778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.484778 (E_RNA)
where:
Base-Base interactions energy: -826.380
where: short stacking energy: -337.659
Base-Backbone interact. energy: -2.851
local terms energy: -360.254303
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -70.316
flat angles C4'-P-C4' energy: -84.204
flat angles P-C4'-P energy: -48.332
tors. eta vs tors. theta energy: -91.829
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: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1075.051077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.051077 (E_RNA)
where:
Base-Base interactions energy: -701.632
where: short stacking energy: -298.287
Base-Backbone interact. energy: -2.510
local terms energy: -370.909120
where:
bonds (distance) C4'-P energy: -69.985
bonds (distance) P-C4' energy: -71.142
flat angles C4'-P-C4' energy: -81.550
flat angles P-C4'-P energy: -56.684
tors. eta vs tors. theta energy: -91.548
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: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -752.733094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.733094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.733094 (E_RNA)
where:
Base-Base interactions energy: -465.213
where: short stacking energy: -195.272
Base-Backbone interact. energy: -0.547
local terms energy: -286.972826
where:
bonds (distance) C4'-P energy: -61.749
bonds (distance) P-C4' energy: -65.823
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -48.386
tors. eta vs tors. theta energy: -31.375
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: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -600.018757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.018757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.018757 (E_RNA)
where:
Base-Base interactions energy: -340.194
where: short stacking energy: -178.151
Base-Backbone interact. energy: 2.280
local terms energy: -262.104672
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -70.619
flat angles C4'-P-C4' energy: -67.773
flat angles P-C4'-P energy: -39.765
tors. eta vs tors. theta energy: -32.100
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: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -394.713568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.713568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.713568 (E_RNA)
where:
Base-Base interactions energy: -173.839
where: short stacking energy: -113.450
Base-Backbone interact. energy: -2.933
local terms energy: -217.941608
where:
bonds (distance) C4'-P energy: -40.523
bonds (distance) P-C4' energy: -80.203
flat angles C4'-P-C4' energy: -74.728
flat angles P-C4'-P energy: -23.645
tors. eta vs tors. theta energy: 1.157
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -319.368329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.368329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.368329 (E_RNA)
where:
Base-Base interactions energy: -110.434
where: short stacking energy: -73.444
Base-Backbone interact. energy: 0.699
local terms energy: -209.633453
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -69.973
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -53.437
tors. eta vs tors. theta energy: 28.692
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: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1414.434963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.434963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.434963 (E_RNA)
where:
Base-Base interactions energy: -987.215
where: short stacking energy: -393.135
Base-Backbone interact. energy: -1.612
local terms energy: -425.607497
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -72.403
flat angles C4'-P-C4' energy: -94.677
flat angles P-C4'-P energy: -59.225
tors. eta vs tors. theta energy: -129.620
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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1361.961687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.961687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.961687 (E_RNA)
where:
Base-Base interactions energy: -959.195
where: short stacking energy: -372.093
Base-Backbone interact. energy: 5.568
local terms energy: -408.334708
where:
bonds (distance) C4'-P energy: -75.976
bonds (distance) P-C4' energy: -71.208
flat angles C4'-P-C4' energy: -86.726
flat angles P-C4'-P energy: -62.733
tors. eta vs tors. theta energy: -111.691
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: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1281.820458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.820458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.820458 (E_RNA)
where:
Base-Base interactions energy: -882.137
where: short stacking energy: -364.597
Base-Backbone interact. energy: -8.185
local terms energy: -391.497901
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -85.971
flat angles C4'-P-C4' energy: -75.457
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -96.259
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: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1255.270914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.270914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.270914 (E_RNA)
where:
Base-Base interactions energy: -855.117
where: short stacking energy: -371.254
Base-Backbone interact. energy: -0.829
local terms energy: -399.325165
where:
bonds (distance) C4'-P energy: -65.745
bonds (distance) P-C4' energy: -81.664
flat angles C4'-P-C4' energy: -80.430
flat angles P-C4'-P energy: -49.413
tors. eta vs tors. theta energy: -122.073
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: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1199.373203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.373203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.373203 (E_RNA)
where:
Base-Base interactions energy: -832.941
where: short stacking energy: -331.999
Base-Backbone interact. energy: -0.767
local terms energy: -365.664858
where:
bonds (distance) C4'-P energy: -68.243
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -82.032
flat angles P-C4'-P energy: -51.585
tors. eta vs tors. theta energy: -101.219
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: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1074.549058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.549058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.549058 (E_RNA)
where:
Base-Base interactions energy: -713.457
where: short stacking energy: -297.045
Base-Backbone interact. energy: -0.198
local terms energy: -360.893896
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -78.689
flat angles C4'-P-C4' energy: -81.256
flat angles P-C4'-P energy: -53.344
tors. eta vs tors. theta energy: -83.622
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: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -776.002033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.002033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.002033 (E_RNA)
where:
Base-Base interactions energy: -458.687
where: short stacking energy: -201.912
Base-Backbone interact. energy: -1.496
local terms energy: -315.818997
where:
bonds (distance) C4'-P energy: -69.000
bonds (distance) P-C4' energy: -79.300
flat angles C4'-P-C4' energy: -71.216
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -43.474
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: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -580.347207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.347207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.347207 (E_RNA)
where:
Base-Base interactions energy: -312.672
where: short stacking energy: -183.964
Base-Backbone interact. energy: 0.968
local terms energy: -268.643973
where:
bonds (distance) C4'-P energy: -80.959
bonds (distance) P-C4' energy: -63.184
flat angles C4'-P-C4' energy: -68.995
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -18.245
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: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -405.073752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.073752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.073752 (E_RNA)
where:
Base-Base interactions energy: -161.224
where: short stacking energy: -110.443
Base-Backbone interact. energy: -3.448
local terms energy: -240.401947
where:
bonds (distance) C4'-P energy: -68.492
bonds (distance) P-C4' energy: -81.307
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: 6.997
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: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -317.025402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.025402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.025402 (E_RNA)
where:
Base-Base interactions energy: -92.996
where: short stacking energy: -81.497
Base-Backbone interact. energy: -1.044
local terms energy: -222.984918
where:
bonds (distance) C4'-P energy: -72.759
bonds (distance) P-C4' energy: -77.020
flat angles C4'-P-C4' energy: -49.101
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: 8.132
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: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1415.258228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.258228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.258228 (E_RNA)
where:
Base-Base interactions energy: -967.831
where: short stacking energy: -414.785
Base-Backbone interact. energy: -0.493
local terms energy: -446.933394
where:
bonds (distance) C4'-P energy: -83.746
bonds (distance) P-C4' energy: -77.139
flat angles C4'-P-C4' energy: -93.049
flat angles P-C4'-P energy: -59.072
tors. eta vs tors. theta energy: -133.928
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: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1364.067010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.067010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.067010 (E_RNA)
where:
Base-Base interactions energy: -947.561
where: short stacking energy: -367.933
Base-Backbone interact. energy: -0.271
local terms energy: -416.234966
where:
bonds (distance) C4'-P energy: -79.438
bonds (distance) P-C4' energy: -75.054
flat angles C4'-P-C4' energy: -85.972
flat angles P-C4'-P energy: -65.217
tors. eta vs tors. theta energy: -110.555
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: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1260.686918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.686918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.686918 (E_RNA)
where:
Base-Base interactions energy: -863.289
where: short stacking energy: -342.946
Base-Backbone interact. energy: 2.494
local terms energy: -399.891769
where:
bonds (distance) C4'-P energy: -75.050
bonds (distance) P-C4' energy: -86.089
flat angles C4'-P-C4' energy: -89.865
flat angles P-C4'-P energy: -56.624
tors. eta vs tors. theta energy: -92.264
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: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1257.536505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.536505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.536505 (E_RNA)
where:
Base-Base interactions energy: -879.362
where: short stacking energy: -354.409
Base-Backbone interact. energy: -1.900
local terms energy: -376.275313
where:
bonds (distance) C4'-P energy: -78.656
bonds (distance) P-C4' energy: -60.936
flat angles C4'-P-C4' energy: -86.493
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -97.846
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: 457
Temperature: 1.100000
Total energy: -1203.125728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.125728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.125728 (E_RNA)
where:
Base-Base interactions energy: -792.316
where: short stacking energy: -343.266
Base-Backbone interact. energy: -2.429
local terms energy: -408.381426
where:
bonds (distance) C4'-P energy: -84.774
bonds (distance) P-C4' energy: -72.672
flat angles C4'-P-C4' energy: -85.275
flat angles P-C4'-P energy: -48.443
tors. eta vs tors. theta energy: -117.217
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: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1120.658265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.658265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.658265 (E_RNA)
where:
Base-Base interactions energy: -762.454
where: short stacking energy: -320.125
Base-Backbone interact. energy: -2.990
local terms energy: -355.213745
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -71.526
flat angles C4'-P-C4' energy: -70.608
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -97.562
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: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -814.144928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.144928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.144928 (E_RNA)
where:
Base-Base interactions energy: -521.678
where: short stacking energy: -229.542
Base-Backbone interact. energy: 6.147
local terms energy: -298.613989
where:
bonds (distance) C4'-P energy: -61.545
bonds (distance) P-C4' energy: -69.146
flat angles C4'-P-C4' energy: -73.162
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -51.943
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: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -579.776715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.776715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.776715 (E_RNA)
where:
Base-Base interactions energy: -326.376
where: short stacking energy: -184.693
Base-Backbone interact. energy: -1.586
local terms energy: -251.814014
where:
bonds (distance) C4'-P energy: -66.538
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -51.470
flat angles P-C4'-P energy: -40.253
tors. eta vs tors. theta energy: -23.718
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: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -388.113754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.113754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.113754 (E_RNA)
where:
Base-Base interactions energy: -162.300
where: short stacking energy: -106.934
Base-Backbone interact. energy: -0.119
local terms energy: -225.695021
where:
bonds (distance) C4'-P energy: -68.591
bonds (distance) P-C4' energy: -69.466
flat angles C4'-P-C4' energy: -45.497
flat angles P-C4'-P energy: -46.461
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: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -323.685201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.685201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.685201 (E_RNA)
where:
Base-Base interactions energy: -116.730
where: short stacking energy: -101.740
Base-Backbone interact. energy: 1.882
local terms energy: -208.837378
where:
bonds (distance) C4'-P energy: -61.408
bonds (distance) P-C4' energy: -61.390
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: 4.065
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: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1426.160513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.160513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.160513 (E_RNA)
where:
Base-Base interactions energy: -973.277
where: short stacking energy: -415.199
Base-Backbone interact. energy: -0.028
local terms energy: -452.855488
where:
bonds (distance) C4'-P energy: -80.695
bonds (distance) P-C4' energy: -77.858
flat angles C4'-P-C4' energy: -98.025
flat angles P-C4'-P energy: -56.176
tors. eta vs tors. theta energy: -140.102
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: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1384.115066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.115066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.115066 (E_RNA)
where:
Base-Base interactions energy: -956.604
where: short stacking energy: -397.140
Base-Backbone interact. energy: 0.033
local terms energy: -427.544534
where:
bonds (distance) C4'-P energy: -78.224
bonds (distance) P-C4' energy: -85.318
flat angles C4'-P-C4' energy: -87.771
flat angles P-C4'-P energy: -57.833
tors. eta vs tors. theta energy: -118.399
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: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1240.143713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.143713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.143713 (E_RNA)
where:
Base-Base interactions energy: -867.493
where: short stacking energy: -367.023
Base-Backbone interact. energy: -4.620
local terms energy: -368.030364
where:
bonds (distance) C4'-P energy: -77.109
bonds (distance) P-C4' energy: -62.051
flat angles C4'-P-C4' energy: -73.996
flat angles P-C4'-P energy: -57.777
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: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1233.594898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.594898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.594898 (E_RNA)
where:
Base-Base interactions energy: -848.499
where: short stacking energy: -335.495
Base-Backbone interact. energy: -1.032
local terms energy: -384.064247
where:
bonds (distance) C4'-P energy: -68.581
bonds (distance) P-C4' energy: -79.967
flat angles C4'-P-C4' energy: -78.714
flat angles P-C4'-P energy: -58.856
tors. eta vs tors. theta energy: -97.946
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: 458
Temperature: 1.100000
Total energy: -1167.183046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.183046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.183046 (E_RNA)
where:
Base-Base interactions energy: -773.393
where: short stacking energy: -331.571
Base-Backbone interact. energy: -1.211
local terms energy: -392.578584
where:
bonds (distance) C4'-P energy: -63.060
bonds (distance) P-C4' energy: -71.490
flat angles C4'-P-C4' energy: -85.521
flat angles P-C4'-P energy: -64.211
tors. eta vs tors. theta energy: -108.296
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: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1065.247151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.247151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.247151 (E_RNA)
where:
Base-Base interactions energy: -718.574
where: short stacking energy: -288.241
Base-Backbone interact. energy: -1.907
local terms energy: -344.766180
where:
bonds (distance) C4'-P energy: -67.485
bonds (distance) P-C4' energy: -72.253
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -43.586
tors. eta vs tors. theta energy: -88.697
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: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -770.914753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.914753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.914753 (E_RNA)
where:
Base-Base interactions energy: -473.423
where: short stacking energy: -198.129
Base-Backbone interact. energy: 2.543
local terms energy: -300.034360
where:
bonds (distance) C4'-P energy: -71.138
bonds (distance) P-C4' energy: -73.488
flat angles C4'-P-C4' energy: -69.203
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -41.675
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: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -575.392596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.392596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.392596 (E_RNA)
where:
Base-Base interactions energy: -321.237
where: short stacking energy: -150.366
Base-Backbone interact. energy: 3.117
local terms energy: -257.272765
where:
bonds (distance) C4'-P energy: -65.057
bonds (distance) P-C4' energy: -57.572
flat angles C4'-P-C4' energy: -78.494
flat angles P-C4'-P energy: -33.636
tors. eta vs tors. theta energy: -22.513
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: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -461.761945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.761945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.761945 (E_RNA)
where:
Base-Base interactions energy: -234.234
where: short stacking energy: -132.963
Base-Backbone interact. energy: -0.039
local terms energy: -227.489062
where:
bonds (distance) C4'-P energy: -60.040
bonds (distance) P-C4' energy: -65.916
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -25.133
tors. eta vs tors. theta energy: -16.953
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: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -310.774671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.774671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.774671 (E_RNA)
where:
Base-Base interactions energy: -88.877
where: short stacking energy: -83.871
Base-Backbone interact. energy: 1.743
local terms energy: -223.640652
where:
bonds (distance) C4'-P energy: -61.479
bonds (distance) P-C4' energy: -63.071
flat angles C4'-P-C4' energy: -63.268
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -1.559
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: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1435.465979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.465979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.465979 (E_RNA)
where:
Base-Base interactions energy: -989.355
where: short stacking energy: -412.454
Base-Backbone interact. energy: -1.306
local terms energy: -444.805057
where:
bonds (distance) C4'-P energy: -84.039
bonds (distance) P-C4' energy: -83.136
flat angles C4'-P-C4' energy: -92.986
flat angles P-C4'-P energy: -58.029
tors. eta vs tors. theta energy: -126.614
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: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1358.495433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.495433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.495433 (E_RNA)
where:
Base-Base interactions energy: -942.069
where: short stacking energy: -367.599
Base-Backbone interact. energy: 1.190
local terms energy: -417.616622
where:
bonds (distance) C4'-P energy: -76.940
bonds (distance) P-C4' energy: -81.681
flat angles C4'-P-C4' energy: -93.259
flat angles P-C4'-P energy: -56.142
tors. eta vs tors. theta energy: -109.595
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: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1259.433517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.433517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.433517 (E_RNA)
where:
Base-Base interactions energy: -871.274
where: short stacking energy: -362.360
Base-Backbone interact. energy: 1.325
local terms energy: -389.484602
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -74.677
flat angles C4'-P-C4' energy: -86.562
flat angles P-C4'-P energy: -55.354
tors. eta vs tors. theta energy: -108.488
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: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1203.198285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.198285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.198285 (E_RNA)
where:
Base-Base interactions energy: -812.285
where: short stacking energy: -349.889
Base-Backbone interact. energy: -3.268
local terms energy: -387.644557
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -71.703
flat angles C4'-P-C4' energy: -79.688
flat angles P-C4'-P energy: -61.843
tors. eta vs tors. theta energy: -105.283
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: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1174.859557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.859557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.859557 (E_RNA)
where:
Base-Base interactions energy: -791.167
where: short stacking energy: -344.508
Base-Backbone interact. energy: -0.152
local terms energy: -383.539651
where:
bonds (distance) C4'-P energy: -71.915
bonds (distance) P-C4' energy: -62.060
flat angles C4'-P-C4' energy: -80.826
flat angles P-C4'-P energy: -65.403
tors. eta vs tors. theta energy: -103.335
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: 459
Temperature: 1.150000
Total energy: -1033.697767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.697767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.697767 (E_RNA)
where:
Base-Base interactions energy: -677.333
where: short stacking energy: -299.144
Base-Backbone interact. energy: -1.505
local terms energy: -354.860387
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -71.015
flat angles C4'-P-C4' energy: -84.032
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -85.856
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: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -814.383200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.383200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.383200 (E_RNA)
where:
Base-Base interactions energy: -532.816
where: short stacking energy: -246.100
Base-Backbone interact. energy: -0.485
local terms energy: -281.082126
where:
bonds (distance) C4'-P energy: -54.210
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -81.197
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -44.186
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -651.807743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.807743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.807743 (E_RNA)
where:
Base-Base interactions energy: -394.477
where: short stacking energy: -201.208
Base-Backbone interact. energy: 2.274
local terms energy: -259.604372
where:
bonds (distance) C4'-P energy: -61.466
bonds (distance) P-C4' energy: -69.996
flat angles C4'-P-C4' energy: -56.912
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -31.153
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: 459
Temperature: 1.300000
Total energy: -444.817613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.817613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.817613 (E_RNA)
where:
Base-Base interactions energy: -204.889
where: short stacking energy: -112.454
Base-Backbone interact. energy: 4.336
local terms energy: -244.264881
where:
bonds (distance) C4'-P energy: -72.403
bonds (distance) P-C4' energy: -74.306
flat angles C4'-P-C4' energy: -74.267
flat angles P-C4'-P energy: -30.931
tors. eta vs tors. theta energy: 7.643
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: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -320.011344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.011344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.011344 (E_RNA)
where:
Base-Base interactions energy: -109.680
where: short stacking energy: -81.808
Base-Backbone interact. energy: -1.203
local terms energy: -209.128527
where:
bonds (distance) C4'-P energy: -75.913
bonds (distance) P-C4' energy: -69.029
flat angles C4'-P-C4' energy: -52.021
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: 18.060
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: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1423.592055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.592055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.592055 (E_RNA)
where:
Base-Base interactions energy: -963.150
where: short stacking energy: -407.704
Base-Backbone interact. energy: -1.924
local terms energy: -458.517511
where:
bonds (distance) C4'-P energy: -86.633
bonds (distance) P-C4' energy: -79.761
flat angles C4'-P-C4' energy: -97.206
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -131.937
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: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1361.110244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.110244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.110244 (E_RNA)
where:
Base-Base interactions energy: -949.594
where: short stacking energy: -377.853
Base-Backbone interact. energy: -1.525
local terms energy: -409.990761
where:
bonds (distance) C4'-P energy: -70.898
bonds (distance) P-C4' energy: -78.025
flat angles C4'-P-C4' energy: -83.501
flat angles P-C4'-P energy: -61.042
tors. eta vs tors. theta energy: -116.525
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: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1279.456264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.456264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.456264 (E_RNA)
where:
Base-Base interactions energy: -873.797
where: short stacking energy: -349.425
Base-Backbone interact. energy: -0.376
local terms energy: -405.283659
where:
bonds (distance) C4'-P energy: -86.591
bonds (distance) P-C4' energy: -74.928
flat angles C4'-P-C4' energy: -81.841
flat angles P-C4'-P energy: -52.069
tors. eta vs tors. theta energy: -109.855
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: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1145.366021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.366021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.366021 (E_RNA)
where:
Base-Base interactions energy: -784.940
where: short stacking energy: -329.668
Base-Backbone interact. energy: 0.673
local terms energy: -361.098271
where:
bonds (distance) C4'-P energy: -72.439
bonds (distance) P-C4' energy: -73.356
flat angles C4'-P-C4' energy: -89.446
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -83.816
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: 460
Temperature: 1.100000
Total energy: -1151.977951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.977951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.977951 (E_RNA)
where:
Base-Base interactions energy: -764.248
where: short stacking energy: -337.382
Base-Backbone interact. energy: -1.122
local terms energy: -386.607904
where:
bonds (distance) C4'-P energy: -73.959
bonds (distance) P-C4' energy: -75.730
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -100.431
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: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1048.098089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.098089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.098089 (E_RNA)
where:
Base-Base interactions energy: -662.487
where: short stacking energy: -306.095
Base-Backbone interact. energy: -1.873
local terms energy: -383.738337
where:
bonds (distance) C4'-P energy: -71.758
bonds (distance) P-C4' energy: -78.015
flat angles C4'-P-C4' energy: -94.237
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -85.566
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -847.454296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.454296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.454296 (E_RNA)
where:
Base-Base interactions energy: -538.189
where: short stacking energy: -244.014
Base-Backbone interact. energy: 3.710
local terms energy: -312.975176
where:
bonds (distance) C4'-P energy: -81.523
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -48.352
tors. eta vs tors. theta energy: -48.706
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: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -625.336256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.336256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.336256 (E_RNA)
where:
Base-Base interactions energy: -341.366
where: short stacking energy: -179.755
Base-Backbone interact. energy: -2.555
local terms energy: -281.415606
where:
bonds (distance) C4'-P energy: -66.063
bonds (distance) P-C4' energy: -75.124
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -52.057
tors. eta vs tors. theta energy: -18.455
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: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -389.608906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.608906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.608906 (E_RNA)
where:
Base-Base interactions energy: -168.696
where: short stacking energy: -100.336
Base-Backbone interact. energy: -1.634
local terms energy: -219.278291
where:
bonds (distance) C4'-P energy: -71.316
bonds (distance) P-C4' energy: -67.955
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: 4.719
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: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -352.528054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.528054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.528054 (E_RNA)
where:
Base-Base interactions energy: -141.400
where: short stacking energy: -89.315
Base-Backbone interact. energy: -0.250
local terms energy: -210.878543
where:
bonds (distance) C4'-P energy: -61.493
bonds (distance) P-C4' energy: -66.265
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -27.769
tors. eta vs tors. theta energy: 7.233
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: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1417.414478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.414478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.414478 (E_RNA)
where:
Base-Base interactions energy: -974.931
where: short stacking energy: -409.391
Base-Backbone interact. energy: 1.622
local terms energy: -444.105760
where:
bonds (distance) C4'-P energy: -82.819
bonds (distance) P-C4' energy: -78.993
flat angles C4'-P-C4' energy: -93.616
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -129.792
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: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1380.129301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.129301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.129301 (E_RNA)
where:
Base-Base interactions energy: -970.145
where: short stacking energy: -390.559
Base-Backbone interact. energy: -3.008
local terms energy: -406.975859
where:
bonds (distance) C4'-P energy: -75.676
bonds (distance) P-C4' energy: -72.748
flat angles C4'-P-C4' energy: -84.255
flat angles P-C4'-P energy: -58.797
tors. eta vs tors. theta energy: -115.499
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: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1290.289295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.289295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.289295 (E_RNA)
where:
Base-Base interactions energy: -885.356
where: short stacking energy: -350.767
Base-Backbone interact. energy: 0.643
local terms energy: -405.576882
where:
bonds (distance) C4'-P energy: -84.117
bonds (distance) P-C4' energy: -69.783
flat angles C4'-P-C4' energy: -85.233
flat angles P-C4'-P energy: -57.961
tors. eta vs tors. theta energy: -108.483
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: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1162.022558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.022558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.022558 (E_RNA)
where:
Base-Base interactions energy: -792.865
where: short stacking energy: -331.677
Base-Backbone interact. energy: -1.133
local terms energy: -368.024564
where:
bonds (distance) C4'-P energy: -69.915
bonds (distance) P-C4' energy: -73.454
flat angles C4'-P-C4' energy: -74.997
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -95.740
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: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1141.795515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.795515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.795515 (E_RNA)
where:
Base-Base interactions energy: -783.712
where: short stacking energy: -331.572
Base-Backbone interact. energy: -1.347
local terms energy: -356.736222
where:
bonds (distance) C4'-P energy: -68.288
bonds (distance) P-C4' energy: -57.485
flat angles C4'-P-C4' energy: -77.420
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -95.462
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: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -989.423218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.423218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.423218 (E_RNA)
where:
Base-Base interactions energy: -657.211
where: short stacking energy: -304.730
Base-Backbone interact. energy: 4.431
local terms energy: -336.643548
where:
bonds (distance) C4'-P energy: -57.055
bonds (distance) P-C4' energy: -64.338
flat angles C4'-P-C4' energy: -73.568
flat angles P-C4'-P energy: -53.154
tors. eta vs tors. theta energy: -88.529
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: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -891.050602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.050602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.050602 (E_RNA)
where:
Base-Base interactions energy: -577.836
where: short stacking energy: -229.100
Base-Backbone interact. energy: 0.031
local terms energy: -313.246033
where:
bonds (distance) C4'-P energy: -68.961
bonds (distance) P-C4' energy: -71.650
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -51.812
tors. eta vs tors. theta energy: -63.794
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: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -613.678411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.678411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.678411 (E_RNA)
where:
Base-Base interactions energy: -386.634
where: short stacking energy: -177.189
Base-Backbone interact. energy: 1.987
local terms energy: -229.031773
where:
bonds (distance) C4'-P energy: -52.826
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -63.768
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: -15.387
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: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -438.135525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.135525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.135525 (E_RNA)
where:
Base-Base interactions energy: -212.533
where: short stacking energy: -130.333
Base-Backbone interact. energy: 2.931
local terms energy: -228.533880
where:
bonds (distance) C4'-P energy: -47.824
bonds (distance) P-C4' energy: -67.791
flat angles C4'-P-C4' energy: -69.788
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -12.344
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: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -314.529379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.529379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.529379 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -74.802
Base-Backbone interact. energy: 5.359
local terms energy: -197.500691
where:
bonds (distance) C4'-P energy: -69.094
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: 30.743
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: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1412.958281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.958281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.958281 (E_RNA)
where:
Base-Base interactions energy: -970.785
where: short stacking energy: -410.561
Base-Backbone interact. energy: -0.357
local terms energy: -441.815892
where:
bonds (distance) C4'-P energy: -84.073
bonds (distance) P-C4' energy: -77.348
flat angles C4'-P-C4' energy: -89.524
flat angles P-C4'-P energy: -62.426
tors. eta vs tors. theta energy: -128.445
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: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1346.355126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.355126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.355126 (E_RNA)
where:
Base-Base interactions energy: -938.358
where: short stacking energy: -369.635
Base-Backbone interact. energy: -0.982
local terms energy: -407.014908
where:
bonds (distance) C4'-P energy: -73.607
bonds (distance) P-C4' energy: -79.974
flat angles C4'-P-C4' energy: -89.547
flat angles P-C4'-P energy: -53.123
tors. eta vs tors. theta energy: -110.764
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: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1288.473990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.473990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.473990 (E_RNA)
where:
Base-Base interactions energy: -887.649
where: short stacking energy: -361.223
Base-Backbone interact. energy: -2.009
local terms energy: -398.816718
where:
bonds (distance) C4'-P energy: -67.927
bonds (distance) P-C4' energy: -84.493
flat angles C4'-P-C4' energy: -87.773
flat angles P-C4'-P energy: -54.743
tors. eta vs tors. theta energy: -103.881
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1203.593615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.593615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.593615 (E_RNA)
where:
Base-Base interactions energy: -783.844
where: short stacking energy: -349.466
Base-Backbone interact. energy: -2.064
local terms energy: -417.685522
where:
bonds (distance) C4'-P energy: -80.916
bonds (distance) P-C4' energy: -75.296
flat angles C4'-P-C4' energy: -89.331
flat angles P-C4'-P energy: -61.618
tors. eta vs tors. theta energy: -110.524
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: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1159.954565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.954565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.954565 (E_RNA)
where:
Base-Base interactions energy: -783.679
where: short stacking energy: -339.755
Base-Backbone interact. energy: -2.291
local terms energy: -373.984705
where:
bonds (distance) C4'-P energy: -72.238
bonds (distance) P-C4' energy: -70.751
flat angles C4'-P-C4' energy: -83.381
flat angles P-C4'-P energy: -48.179
tors. eta vs tors. theta energy: -99.436
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: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -974.488366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.488366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.488366 (E_RNA)
where:
Base-Base interactions energy: -623.076
where: short stacking energy: -275.504
Base-Backbone interact. energy: -2.706
local terms energy: -348.705614
where:
bonds (distance) C4'-P energy: -63.387
bonds (distance) P-C4' energy: -73.835
flat angles C4'-P-C4' energy: -78.736
flat angles P-C4'-P energy: -55.406
tors. eta vs tors. theta energy: -77.342
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: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -867.818481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.818481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.818481 (E_RNA)
where:
Base-Base interactions energy: -557.792
where: short stacking energy: -248.915
Base-Backbone interact. energy: 0.790
local terms energy: -310.816698
where:
bonds (distance) C4'-P energy: -53.328
bonds (distance) P-C4' energy: -76.452
flat angles C4'-P-C4' energy: -83.190
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -57.471
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: 462
Temperature: 1.250000
Total energy: -625.308877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.308877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.308877 (E_RNA)
where:
Base-Base interactions energy: -347.889
where: short stacking energy: -168.026
Base-Backbone interact. energy: 0.688
local terms energy: -278.108348
where:
bonds (distance) C4'-P energy: -75.717
bonds (distance) P-C4' energy: -65.832
flat angles C4'-P-C4' energy: -66.371
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -30.280
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: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -326.813856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.813856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.813856 (E_RNA)
where:
Base-Base interactions energy: -115.251
where: short stacking energy: -89.136
Base-Backbone interact. energy: -2.114
local terms energy: -209.448411
where:
bonds (distance) C4'-P energy: -59.994
bonds (distance) P-C4' energy: -73.624
flat angles C4'-P-C4' energy: -62.352
flat angles P-C4'-P energy: -27.185
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: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -341.632118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.632118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.632118 (E_RNA)
where:
Base-Base interactions energy: -129.615
where: short stacking energy: -100.117
Base-Backbone interact. energy: 1.303
local terms energy: -213.320498
where:
bonds (distance) C4'-P energy: -67.440
bonds (distance) P-C4' energy: -79.100
flat angles C4'-P-C4' energy: -46.293
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: 0.813
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: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1423.182024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.182024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.182024 (E_RNA)
where:
Base-Base interactions energy: -966.591
where: short stacking energy: -400.385
Base-Backbone interact. energy: -0.470
local terms energy: -456.120783
where:
bonds (distance) C4'-P energy: -91.869
bonds (distance) P-C4' energy: -79.905
flat angles C4'-P-C4' energy: -95.898
flat angles P-C4'-P energy: -54.450
tors. eta vs tors. theta energy: -133.999
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: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1339.565512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.565512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.565512 (E_RNA)
where:
Base-Base interactions energy: -931.160
where: short stacking energy: -368.122
Base-Backbone interact. energy: -3.355
local terms energy: -405.050645
where:
bonds (distance) C4'-P energy: -81.485
bonds (distance) P-C4' energy: -74.769
flat angles C4'-P-C4' energy: -92.245
flat angles P-C4'-P energy: -49.170
tors. eta vs tors. theta energy: -107.381
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: 463
Temperature: 1.000000
Total energy: -1281.517358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.517358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.517358 (E_RNA)
where:
Base-Base interactions energy: -875.348
where: short stacking energy: -346.961
Base-Backbone interact. energy: -1.537
local terms energy: -404.631753
where:
bonds (distance) C4'-P energy: -74.591
bonds (distance) P-C4' energy: -71.193
flat angles C4'-P-C4' energy: -92.969
flat angles P-C4'-P energy: -62.752
tors. eta vs tors. theta energy: -103.126
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: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1204.606456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.606456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.606456 (E_RNA)
where:
Base-Base interactions energy: -818.197
where: short stacking energy: -354.385
Base-Backbone interact. energy: 0.645
local terms energy: -387.054544
where:
bonds (distance) C4'-P energy: -74.743
bonds (distance) P-C4' energy: -75.891
flat angles C4'-P-C4' energy: -83.249
flat angles P-C4'-P energy: -50.511
tors. eta vs tors. theta energy: -102.662
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: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1155.643644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.643644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.643644 (E_RNA)
where:
Base-Base interactions energy: -787.945
where: short stacking energy: -318.757
Base-Backbone interact. energy: -0.491
local terms energy: -367.207947
where:
bonds (distance) C4'-P energy: -79.002
bonds (distance) P-C4' energy: -75.230
flat angles C4'-P-C4' energy: -72.489
flat angles P-C4'-P energy: -44.152
tors. eta vs tors. theta energy: -96.334
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1000.204462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.204462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.204462 (E_RNA)
where:
Base-Base interactions energy: -658.334
where: short stacking energy: -293.833
Base-Backbone interact. energy: -0.251
local terms energy: -341.619674
where:
bonds (distance) C4'-P energy: -72.940
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -70.583
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: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -842.570479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.570479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.570479 (E_RNA)
where:
Base-Base interactions energy: -551.421
where: short stacking energy: -241.006
Base-Backbone interact. energy: -0.422
local terms energy: -290.726845
where:
bonds (distance) C4'-P energy: -67.612
bonds (distance) P-C4' energy: -71.289
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -56.037
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: 463
Temperature: 1.250000
Total energy: -628.954687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.954687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.954687 (E_RNA)
where:
Base-Base interactions energy: -367.249
where: short stacking energy: -191.059
Base-Backbone interact. energy: -0.000
local terms energy: -261.705043
where:
bonds (distance) C4'-P energy: -61.582
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -27.893
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: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -353.674805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.674805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.674805 (E_RNA)
where:
Base-Base interactions energy: -112.854
where: short stacking energy: -102.603
Base-Backbone interact. energy: -0.405
local terms energy: -240.415826
where:
bonds (distance) C4'-P energy: -75.489
bonds (distance) P-C4' energy: -70.390
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: 8.161
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: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -300.369288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.369288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.369288 (E_RNA)
where:
Base-Base interactions energy: -100.632
where: short stacking energy: -77.165
Base-Backbone interact. energy: -2.657
local terms energy: -197.080170
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -67.333
flat angles C4'-P-C4' energy: -67.458
flat angles P-C4'-P energy: -30.405
tors. eta vs tors. theta energy: 16.648
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: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1400.679773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.679773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.679773 (E_RNA)
where:
Base-Base interactions energy: -981.129
where: short stacking energy: -410.348
Base-Backbone interact. energy: 0.268
local terms energy: -419.819120
where:
bonds (distance) C4'-P energy: -76.728
bonds (distance) P-C4' energy: -81.457
flat angles C4'-P-C4' energy: -81.722
flat angles P-C4'-P energy: -53.373
tors. eta vs tors. theta energy: -126.540
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: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1336.272406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.272406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.272406 (E_RNA)
where:
Base-Base interactions energy: -918.110
where: short stacking energy: -372.258
Base-Backbone interact. energy: -2.012
local terms energy: -416.150469
where:
bonds (distance) C4'-P energy: -70.138
bonds (distance) P-C4' energy: -86.656
flat angles C4'-P-C4' energy: -85.679
flat angles P-C4'-P energy: -59.840
tors. eta vs tors. theta energy: -113.837
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: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1305.745841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.745841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.745841 (E_RNA)
where:
Base-Base interactions energy: -915.463
where: short stacking energy: -351.430
Base-Backbone interact. energy: -1.273
local terms energy: -389.009540
where:
bonds (distance) C4'-P energy: -74.520
bonds (distance) P-C4' energy: -79.120
flat angles C4'-P-C4' energy: -79.010
flat angles P-C4'-P energy: -60.056
tors. eta vs tors. theta energy: -96.304
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: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1211.351509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.351509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.351509 (E_RNA)
where:
Base-Base interactions energy: -819.286
where: short stacking energy: -352.744
Base-Backbone interact. energy: -1.364
local terms energy: -390.701213
where:
bonds (distance) C4'-P energy: -75.915
bonds (distance) P-C4' energy: -79.244
flat angles C4'-P-C4' energy: -78.563
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -105.834
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: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1171.774660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.774660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.774660 (E_RNA)
where:
Base-Base interactions energy: -782.837
where: short stacking energy: -306.743
Base-Backbone interact. energy: -1.560
local terms energy: -387.377815
where:
bonds (distance) C4'-P energy: -78.410
bonds (distance) P-C4' energy: -78.675
flat angles C4'-P-C4' energy: -87.972
flat angles P-C4'-P energy: -50.034
tors. eta vs tors. theta energy: -92.287
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: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1006.731225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.731225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.731225 (E_RNA)
where:
Base-Base interactions energy: -649.693
where: short stacking energy: -296.026
Base-Backbone interact. energy: 8.852
local terms energy: -365.890714
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -80.311
flat angles C4'-P-C4' energy: -79.478
flat angles P-C4'-P energy: -57.410
tors. eta vs tors. theta energy: -83.653
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -842.471931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.471931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.471931 (E_RNA)
where:
Base-Base interactions energy: -555.261
where: short stacking energy: -255.185
Base-Backbone interact. energy: -1.083
local terms energy: -286.127266
where:
bonds (distance) C4'-P energy: -62.625
bonds (distance) P-C4' energy: -59.126
flat angles C4'-P-C4' energy: -79.496
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -57.703
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: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -602.769088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.769088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.769088 (E_RNA)
where:
Base-Base interactions energy: -340.285
where: short stacking energy: -146.127
Base-Backbone interact. energy: -1.353
local terms energy: -261.130619
where:
bonds (distance) C4'-P energy: -72.314
bonds (distance) P-C4' energy: -68.538
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -42.234
tors. eta vs tors. theta energy: -3.274
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: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -337.699108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.699108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.699108 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -89.855
Base-Backbone interact. energy: -1.580
local terms energy: -193.599566
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -68.181
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: 13.986
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: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -326.386373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.386373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.386373 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -98.601
Base-Backbone interact. energy: 3.682
local terms energy: -205.104338
where:
bonds (distance) C4'-P energy: -65.232
bonds (distance) P-C4' energy: -76.129
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: 10.123
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: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1431.271766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.271766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.271766 (E_RNA)
where:
Base-Base interactions energy: -991.094
where: short stacking energy: -421.310
Base-Backbone interact. energy: -1.033
local terms energy: -439.144634
where:
bonds (distance) C4'-P energy: -70.136
bonds (distance) P-C4' energy: -83.647
flat angles C4'-P-C4' energy: -92.560
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -135.822
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: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1331.528388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.528388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.528388 (E_RNA)
where:
Base-Base interactions energy: -908.033
where: short stacking energy: -366.666
Base-Backbone interact. energy: -1.246
local terms energy: -422.249793
where:
bonds (distance) C4'-P energy: -73.083
bonds (distance) P-C4' energy: -84.684
flat angles C4'-P-C4' energy: -87.545
flat angles P-C4'-P energy: -67.710
tors. eta vs tors. theta energy: -109.229
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: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1286.806391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.806391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.806391 (E_RNA)
where:
Base-Base interactions energy: -897.432
where: short stacking energy: -331.102
Base-Backbone interact. energy: -2.709
local terms energy: -386.665107
where:
bonds (distance) C4'-P energy: -73.338
bonds (distance) P-C4' energy: -69.240
flat angles C4'-P-C4' energy: -77.313
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -94.698
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: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1195.025195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.025195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.025195 (E_RNA)
where:
Base-Base interactions energy: -820.912
where: short stacking energy: -348.560
Base-Backbone interact. energy: -1.167
local terms energy: -372.945992
where:
bonds (distance) C4'-P energy: -68.514
bonds (distance) P-C4' energy: -68.179
flat angles C4'-P-C4' energy: -81.590
flat angles P-C4'-P energy: -52.400
tors. eta vs tors. theta energy: -102.263
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: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1144.849970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.849970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.849970 (E_RNA)
where:
Base-Base interactions energy: -785.862
where: short stacking energy: -341.812
Base-Backbone interact. energy: -1.248
local terms energy: -357.739646
where:
bonds (distance) C4'-P energy: -63.348
bonds (distance) P-C4' energy: -70.212
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -43.384
tors. eta vs tors. theta energy: -94.408
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: 465
Temperature: 1.150000
Total energy: -1025.603414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.603414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.603414 (E_RNA)
where:
Base-Base interactions energy: -657.769
where: short stacking energy: -293.393
Base-Backbone interact. energy: -0.349
local terms energy: -367.485758
where:
bonds (distance) C4'-P energy: -71.216
bonds (distance) P-C4' energy: -71.381
flat angles C4'-P-C4' energy: -73.733
flat angles P-C4'-P energy: -55.951
tors. eta vs tors. theta energy: -95.206
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: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -808.489538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.489538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.489538 (E_RNA)
where:
Base-Base interactions energy: -493.716
where: short stacking energy: -229.475
Base-Backbone interact. energy: -1.519
local terms energy: -313.254382
where:
bonds (distance) C4'-P energy: -71.410
bonds (distance) P-C4' energy: -73.839
flat angles C4'-P-C4' energy: -69.612
flat angles P-C4'-P energy: -46.299
tors. eta vs tors. theta energy: -52.095
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: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -618.283708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.283708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.283708 (E_RNA)
where:
Base-Base interactions energy: -383.988
where: short stacking energy: -157.351
Base-Backbone interact. energy: 0.163
local terms energy: -234.459180
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -67.486
flat angles C4'-P-C4' energy: -40.367
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -25.606
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: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -341.443372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.443372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.443372 (E_RNA)
where:
Base-Base interactions energy: -119.493
where: short stacking energy: -104.701
Base-Backbone interact. energy: -1.888
local terms energy: -220.061726
where:
bonds (distance) C4'-P energy: -80.052
bonds (distance) P-C4' energy: -63.955
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -28.856
tors. eta vs tors. theta energy: 8.203
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: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -330.698625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.698625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.698625 (E_RNA)
where:
Base-Base interactions energy: -132.892
where: short stacking energy: -103.651
Base-Backbone interact. energy: 1.314
local terms energy: -199.120873
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -75.584
flat angles C4'-P-C4' energy: -52.277
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: 13.545
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: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1419.862953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.862953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.862953 (E_RNA)
where:
Base-Base interactions energy: -965.799
where: short stacking energy: -415.715
Base-Backbone interact. energy: -0.655
local terms energy: -453.409627
where:
bonds (distance) C4'-P energy: -80.924
bonds (distance) P-C4' energy: -83.366
flat angles C4'-P-C4' energy: -92.484
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -135.423
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: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1361.727843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.727843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.727843 (E_RNA)
where:
Base-Base interactions energy: -933.593
where: short stacking energy: -373.738
Base-Backbone interact. energy: -0.026
local terms energy: -428.108776
where:
bonds (distance) C4'-P energy: -81.767
bonds (distance) P-C4' energy: -83.053
flat angles C4'-P-C4' energy: -88.632
flat angles P-C4'-P energy: -65.315
tors. eta vs tors. theta energy: -109.342
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: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1280.879807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.879807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.879807 (E_RNA)
where:
Base-Base interactions energy: -891.918
where: short stacking energy: -341.994
Base-Backbone interact. energy: -2.566
local terms energy: -386.396069
where:
bonds (distance) C4'-P energy: -69.007
bonds (distance) P-C4' energy: -77.167
flat angles C4'-P-C4' energy: -84.224
flat angles P-C4'-P energy: -47.940
tors. eta vs tors. theta energy: -108.058
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: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1204.362012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.362012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.362012 (E_RNA)
where:
Base-Base interactions energy: -839.493
where: short stacking energy: -350.174
Base-Backbone interact. energy: 2.369
local terms energy: -367.238158
where:
bonds (distance) C4'-P energy: -76.608
bonds (distance) P-C4' energy: -60.719
flat angles C4'-P-C4' energy: -74.741
flat angles P-C4'-P energy: -56.270
tors. eta vs tors. theta energy: -98.901
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: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1131.398266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.398266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.398266 (E_RNA)
where:
Base-Base interactions energy: -757.434
where: short stacking energy: -332.848
Base-Backbone interact. energy: -1.315
local terms energy: -372.649713
where:
bonds (distance) C4'-P energy: -76.638
bonds (distance) P-C4' energy: -58.669
flat angles C4'-P-C4' energy: -84.850
flat angles P-C4'-P energy: -55.868
tors. eta vs tors. theta energy: -96.625
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: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1035.838023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.838023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.838023 (E_RNA)
where:
Base-Base interactions energy: -676.420
where: short stacking energy: -299.109
Base-Backbone interact. energy: -0.585
local terms energy: -358.832589
where:
bonds (distance) C4'-P energy: -73.478
bonds (distance) P-C4' energy: -64.865
flat angles C4'-P-C4' energy: -80.868
flat angles P-C4'-P energy: -55.846
tors. eta vs tors. theta energy: -83.776
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: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -850.852321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.852321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.852321 (E_RNA)
where:
Base-Base interactions energy: -539.624
where: short stacking energy: -243.202
Base-Backbone interact. energy: -2.653
local terms energy: -308.575656
where:
bonds (distance) C4'-P energy: -72.629
bonds (distance) P-C4' energy: -65.258
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -48.411
tors. eta vs tors. theta energy: -61.520
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: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -611.175035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.175035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.175035 (E_RNA)
where:
Base-Base interactions energy: -352.637
where: short stacking energy: -163.645
Base-Backbone interact. energy: 2.466
local terms energy: -261.004502
where:
bonds (distance) C4'-P energy: -63.446
bonds (distance) P-C4' energy: -80.446
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -11.574
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: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -350.574808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.574808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.574808 (E_RNA)
where:
Base-Base interactions energy: -115.982
where: short stacking energy: -86.907
Base-Backbone interact. energy: 1.512
local terms energy: -236.104333
where:
bonds (distance) C4'-P energy: -65.945
bonds (distance) P-C4' energy: -65.203
flat angles C4'-P-C4' energy: -66.783
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: 6.991
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: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -315.394996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.394996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.394996 (E_RNA)
where:
Base-Base interactions energy: -126.871
where: short stacking energy: -79.516
Base-Backbone interact. energy: -0.410
local terms energy: -188.113764
where:
bonds (distance) C4'-P energy: -65.758
bonds (distance) P-C4' energy: -67.994
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: 20.563
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: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1411.605640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.605640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.605640 (E_RNA)
where:
Base-Base interactions energy: -968.954
where: short stacking energy: -408.510
Base-Backbone interact. energy: -0.911
local terms energy: -441.741390
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -78.785
flat angles C4'-P-C4' energy: -95.237
flat angles P-C4'-P energy: -57.294
tors. eta vs tors. theta energy: -134.147
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: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1359.882837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.882837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.882837 (E_RNA)
where:
Base-Base interactions energy: -948.529
where: short stacking energy: -382.096
Base-Backbone interact. energy: -1.824
local terms energy: -409.529493
where:
bonds (distance) C4'-P energy: -71.444
bonds (distance) P-C4' energy: -69.591
flat angles C4'-P-C4' energy: -90.929
flat angles P-C4'-P energy: -63.632
tors. eta vs tors. theta energy: -113.933
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: 467
Temperature: 1.000000
Total energy: -1311.031070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.031070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.031070 (E_RNA)
where:
Base-Base interactions energy: -929.304
where: short stacking energy: -374.061
Base-Backbone interact. energy: 3.697
local terms energy: -385.424655
where:
bonds (distance) C4'-P energy: -63.976
bonds (distance) P-C4' energy: -74.786
flat angles C4'-P-C4' energy: -90.754
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -107.317
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: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1200.090647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.090647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.090647 (E_RNA)
where:
Base-Base interactions energy: -825.910
where: short stacking energy: -340.360
Base-Backbone interact. energy: -1.799
local terms energy: -372.381861
where:
bonds (distance) C4'-P energy: -71.505
bonds (distance) P-C4' energy: -74.971
flat angles C4'-P-C4' energy: -76.577
flat angles P-C4'-P energy: -55.969
tors. eta vs tors. theta energy: -93.360
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: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1134.934474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.934474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.934474 (E_RNA)
where:
Base-Base interactions energy: -767.759
where: short stacking energy: -329.781
Base-Backbone interact. energy: -0.370
local terms energy: -366.805444
where:
bonds (distance) C4'-P energy: -63.685
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -53.469
tors. eta vs tors. theta energy: -101.902
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: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1060.553722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.553722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.553722 (E_RNA)
where:
Base-Base interactions energy: -707.185
where: short stacking energy: -302.430
Base-Backbone interact. energy: 0.279
local terms energy: -353.648026
where:
bonds (distance) C4'-P energy: -69.755
bonds (distance) P-C4' energy: -69.190
flat angles C4'-P-C4' energy: -87.490
flat angles P-C4'-P energy: -42.664
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: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -892.299533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.299533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.299533 (E_RNA)
where:
Base-Base interactions energy: -560.492
where: short stacking energy: -241.565
Base-Backbone interact. energy: 0.487
local terms energy: -332.294071
where:
bonds (distance) C4'-P energy: -71.718
bonds (distance) P-C4' energy: -77.724
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -67.024
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: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -569.192544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.192544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.192544 (E_RNA)
where:
Base-Base interactions energy: -318.228
where: short stacking energy: -157.348
Base-Backbone interact. energy: -1.887
local terms energy: -249.077006
where:
bonds (distance) C4'-P energy: -74.376
bonds (distance) P-C4' energy: -63.661
flat angles C4'-P-C4' energy: -59.669
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -16.918
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: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -370.053012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.053012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.053012 (E_RNA)
where:
Base-Base interactions energy: -168.143
where: short stacking energy: -118.363
Base-Backbone interact. energy: 2.676
local terms energy: -204.585975
where:
bonds (distance) C4'-P energy: -57.054
bonds (distance) P-C4' energy: -65.895
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: 4.361
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: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -322.784349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.784349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.784349 (E_RNA)
where:
Base-Base interactions energy: -110.864
where: short stacking energy: -89.433
Base-Backbone interact. energy: 1.093
local terms energy: -213.013721
where:
bonds (distance) C4'-P energy: -52.776
bonds (distance) P-C4' energy: -80.215
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: 15.095
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: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1414.660117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.660117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.660117 (E_RNA)
where:
Base-Base interactions energy: -979.421
where: short stacking energy: -417.391
Base-Backbone interact. energy: -0.205
local terms energy: -435.034090
where:
bonds (distance) C4'-P energy: -77.710
bonds (distance) P-C4' energy: -82.852
flat angles C4'-P-C4' energy: -88.771
flat angles P-C4'-P energy: -55.711
tors. eta vs tors. theta energy: -129.991
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: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1387.578139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.578139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.578139 (E_RNA)
where:
Base-Base interactions energy: -972.349
where: short stacking energy: -375.754
Base-Backbone interact. energy: -3.497
local terms energy: -411.732570
where:
bonds (distance) C4'-P energy: -65.601
bonds (distance) P-C4' energy: -81.050
flat angles C4'-P-C4' energy: -91.425
flat angles P-C4'-P energy: -56.759
tors. eta vs tors. theta energy: -116.898
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: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1299.267799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.267799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.267799 (E_RNA)
where:
Base-Base interactions energy: -893.517
where: short stacking energy: -373.186
Base-Backbone interact. energy: -1.155
local terms energy: -404.595705
where:
bonds (distance) C4'-P energy: -80.133
bonds (distance) P-C4' energy: -73.123
flat angles C4'-P-C4' energy: -88.029
flat angles P-C4'-P energy: -56.887
tors. eta vs tors. theta energy: -106.425
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: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1209.727836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.727836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.727836 (E_RNA)
where:
Base-Base interactions energy: -815.416
where: short stacking energy: -341.335
Base-Backbone interact. energy: -1.280
local terms energy: -393.031270
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -82.117
flat angles C4'-P-C4' energy: -84.502
flat angles P-C4'-P energy: -65.253
tors. eta vs tors. theta energy: -106.953
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: 5, replica: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1146.746264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.746264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.746264 (E_RNA)
where:
Base-Base interactions energy: -767.619
where: short stacking energy: -331.176
Base-Backbone interact. energy: -0.272
local terms energy: -378.855234
where:
bonds (distance) C4'-P energy: -72.831
bonds (distance) P-C4' energy: -68.977
flat angles C4'-P-C4' energy: -81.177
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: -102.662
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: 6, replica: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1017.402636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.402636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.402636 (E_RNA)
where:
Base-Base interactions energy: -653.970
where: short stacking energy: -300.100
Base-Backbone interact. energy: -0.720
local terms energy: -362.712591
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -72.925
flat angles C4'-P-C4' energy: -86.064
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -94.932
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: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -906.065938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.065938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.065938 (E_RNA)
where:
Base-Base interactions energy: -579.999
where: short stacking energy: -254.906
Base-Backbone interact. energy: -4.767
local terms energy: -321.299982
where:
bonds (distance) C4'-P energy: -76.827
bonds (distance) P-C4' energy: -59.469
flat angles C4'-P-C4' energy: -68.139
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -70.788
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: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -549.311958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.311958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.311958 (E_RNA)
where:
Base-Base interactions energy: -300.015
where: short stacking energy: -150.114
Base-Backbone interact. energy: 4.663
local terms energy: -253.959377
where:
bonds (distance) C4'-P energy: -68.682
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -65.864
flat angles P-C4'-P energy: -42.067
tors. eta vs tors. theta energy: -18.595
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: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -392.008777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.008777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.008777 (E_RNA)
where:
Base-Base interactions energy: -150.135
where: short stacking energy: -98.304
Base-Backbone interact. energy: 1.209
local terms energy: -243.082043
where:
bonds (distance) C4'-P energy: -73.203
bonds (distance) P-C4' energy: -68.095
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -34.724
tors. eta vs tors. theta energy: -5.818
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: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -336.946758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.946758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.946758 (E_RNA)
where:
Base-Base interactions energy: -127.885
where: short stacking energy: -80.521
Base-Backbone interact. energy: -2.146
local terms energy: -206.915454
where:
bonds (distance) C4'-P energy: -66.783
bonds (distance) P-C4' energy: -57.261
flat angles C4'-P-C4' energy: -48.057
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: 3.715
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: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1414.974201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.974201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.974201 (E_RNA)
where:
Base-Base interactions energy: -960.595
where: short stacking energy: -410.409
Base-Backbone interact. energy: -1.577
local terms energy: -452.801732
where:
bonds (distance) C4'-P energy: -79.561
bonds (distance) P-C4' energy: -72.397
flat angles C4'-P-C4' energy: -95.504
flat angles P-C4'-P energy: -65.425
tors. eta vs tors. theta energy: -139.914
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: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1375.969003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.969003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.969003 (E_RNA)
where:
Base-Base interactions energy: -971.205
where: short stacking energy: -377.740
Base-Backbone interact. energy: 1.905
local terms energy: -406.668981
where:
bonds (distance) C4'-P energy: -70.512
bonds (distance) P-C4' energy: -76.597
flat angles C4'-P-C4' energy: -81.861
flat angles P-C4'-P energy: -57.207
tors. eta vs tors. theta energy: -120.492
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: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1289.048040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.048040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.048040 (E_RNA)
where:
Base-Base interactions energy: -893.891
where: short stacking energy: -338.343
Base-Backbone interact. energy: -2.030
local terms energy: -393.126560
where:
bonds (distance) C4'-P energy: -77.123
bonds (distance) P-C4' energy: -78.241
flat angles C4'-P-C4' energy: -90.107
flat angles P-C4'-P energy: -53.940
tors. eta vs tors. theta energy: -93.715
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: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1224.442923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.442923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.442923 (E_RNA)
where:
Base-Base interactions energy: -837.784
where: short stacking energy: -337.725
Base-Backbone interact. energy: -2.641
local terms energy: -384.018005
where:
bonds (distance) C4'-P energy: -63.945
bonds (distance) P-C4' energy: -63.307
flat angles C4'-P-C4' energy: -89.199
flat angles P-C4'-P energy: -59.413
tors. eta vs tors. theta energy: -108.153
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: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1164.510413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.510413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.510413 (E_RNA)
where:
Base-Base interactions energy: -787.521
where: short stacking energy: -333.744
Base-Backbone interact. energy: -1.600
local terms energy: -375.389149
where:
bonds (distance) C4'-P energy: -71.466
bonds (distance) P-C4' energy: -71.838
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -55.650
tors. eta vs tors. theta energy: -100.751
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: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1034.035364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.035364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.035364 (E_RNA)
where:
Base-Base interactions energy: -684.333
where: short stacking energy: -294.017
Base-Backbone interact. energy: -0.050
local terms energy: -349.652282
where:
bonds (distance) C4'-P energy: -81.702
bonds (distance) P-C4' energy: -65.842
flat angles C4'-P-C4' energy: -78.798
flat angles P-C4'-P energy: -48.440
tors. eta vs tors. theta energy: -74.870
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: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -848.333830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.333830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.333830 (E_RNA)
where:
Base-Base interactions energy: -550.359
where: short stacking energy: -238.789
Base-Backbone interact. energy: -1.914
local terms energy: -296.060817
where:
bonds (distance) C4'-P energy: -72.237
bonds (distance) P-C4' energy: -66.129
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -53.544
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: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -534.370267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.370267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.370267 (E_RNA)
where:
Base-Base interactions energy: -292.606
where: short stacking energy: -136.296
Base-Backbone interact. energy: -4.302
local terms energy: -237.462597
where:
bonds (distance) C4'-P energy: -64.602
bonds (distance) P-C4' energy: -61.795
flat angles C4'-P-C4' energy: -59.948
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -13.723
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: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -366.309860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.309860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.309860 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -106.112
Base-Backbone interact. energy: 2.264
local terms energy: -228.473482
where:
bonds (distance) C4'-P energy: -69.727
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -50.561
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: 12.442
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: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -364.509355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.509355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.509355 (E_RNA)
where:
Base-Base interactions energy: -149.316
where: short stacking energy: -97.626
Base-Backbone interact. energy: -2.715
local terms energy: -212.478639
where:
bonds (distance) C4'-P energy: -76.445
bonds (distance) P-C4' energy: -66.519
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -33.652
tors. eta vs tors. theta energy: 10.527
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: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1416.145482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.145482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.145482 (E_RNA)
where:
Base-Base interactions energy: -1009.086
where: short stacking energy: -423.813
Base-Backbone interact. energy: 1.109
local terms energy: -408.168042
where:
bonds (distance) C4'-P energy: -76.393
bonds (distance) P-C4' energy: -74.248
flat angles C4'-P-C4' energy: -86.851
flat angles P-C4'-P energy: -49.087
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: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1367.822335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.822335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.822335 (E_RNA)
where:
Base-Base interactions energy: -953.409
where: short stacking energy: -382.286
Base-Backbone interact. energy: 0.055
local terms energy: -414.468167
where:
bonds (distance) C4'-P energy: -72.843
bonds (distance) P-C4' energy: -79.086
flat angles C4'-P-C4' energy: -80.030
flat angles P-C4'-P energy: -61.731
tors. eta vs tors. theta energy: -120.780
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: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1298.897069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.897069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.897069 (E_RNA)
where:
Base-Base interactions energy: -916.897
where: short stacking energy: -353.408
Base-Backbone interact. energy: -2.938
local terms energy: -379.061915
where:
bonds (distance) C4'-P energy: -69.321
bonds (distance) P-C4' energy: -74.712
flat angles C4'-P-C4' energy: -86.284
flat angles P-C4'-P energy: -49.512
tors. eta vs tors. theta energy: -99.234
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: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1219.366572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.366572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.366572 (E_RNA)
where:
Base-Base interactions energy: -830.626
where: short stacking energy: -328.580
Base-Backbone interact. energy: -0.816
local terms energy: -387.924061
where:
bonds (distance) C4'-P energy: -81.779
bonds (distance) P-C4' energy: -69.363
flat angles C4'-P-C4' energy: -80.013
flat angles P-C4'-P energy: -54.306
tors. eta vs tors. theta energy: -102.463
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: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1200.335661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.335661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.335661 (E_RNA)
where:
Base-Base interactions energy: -815.209
where: short stacking energy: -366.538
Base-Backbone interact. energy: -1.522
local terms energy: -383.604524
where:
bonds (distance) C4'-P energy: -74.809
bonds (distance) P-C4' energy: -63.133
flat angles C4'-P-C4' energy: -78.932
flat angles P-C4'-P energy: -54.301
tors. eta vs tors. theta energy: -112.430
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: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1060.974517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.974517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.974517 (E_RNA)
where:
Base-Base interactions energy: -693.367
where: short stacking energy: -316.887
Base-Backbone interact. energy: -1.766
local terms energy: -365.841299
where:
bonds (distance) C4'-P energy: -68.463
bonds (distance) P-C4' energy: -72.689
flat angles C4'-P-C4' energy: -83.395
flat angles P-C4'-P energy: -48.474
tors. eta vs tors. theta energy: -92.820
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: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -852.047270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.047270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.047270 (E_RNA)
where:
Base-Base interactions energy: -548.525
where: short stacking energy: -258.803
Base-Backbone interact. energy: 4.981
local terms energy: -308.502834
where:
bonds (distance) C4'-P energy: -75.716
bonds (distance) P-C4' energy: -56.919
flat angles C4'-P-C4' energy: -66.462
flat angles P-C4'-P energy: -39.130
tors. eta vs tors. theta energy: -70.275
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -555.124853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.124853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.124853 (E_RNA)
where:
Base-Base interactions energy: -305.938
where: short stacking energy: -128.886
Base-Backbone interact. energy: 0.203
local terms energy: -249.389962
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -72.400
flat angles C4'-P-C4' energy: -54.051
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: -11.247
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: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -352.583538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.583538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.583538 (E_RNA)
where:
Base-Base interactions energy: -138.088
where: short stacking energy: -103.442
Base-Backbone interact. energy: -5.869
local terms energy: -208.626261
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -78.910
flat angles C4'-P-C4' energy: -61.790
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: 5.715
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: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -335.905484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.905484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.905484 (E_RNA)
where:
Base-Base interactions energy: -107.729
where: short stacking energy: -86.109
Base-Backbone interact. energy: 0.808
local terms energy: -228.984595
where:
bonds (distance) C4'-P energy: -62.422
bonds (distance) P-C4' energy: -66.568
flat angles C4'-P-C4' energy: -66.541
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: 12.940
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: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1420.461357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.461357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.461357 (E_RNA)
where:
Base-Base interactions energy: -984.060
where: short stacking energy: -406.132
Base-Backbone interact. energy: -1.115
local terms energy: -435.286573
where:
bonds (distance) C4'-P energy: -71.784
bonds (distance) P-C4' energy: -83.878
flat angles C4'-P-C4' energy: -94.213
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -132.620
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: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1361.233317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.233317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.233317 (E_RNA)
where:
Base-Base interactions energy: -952.391
where: short stacking energy: -392.684
Base-Backbone interact. energy: -1.150
local terms energy: -407.692997
where:
bonds (distance) C4'-P energy: -76.093
bonds (distance) P-C4' energy: -71.075
flat angles C4'-P-C4' energy: -85.835
flat angles P-C4'-P energy: -57.190
tors. eta vs tors. theta energy: -117.501
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: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1290.475969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.475969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.475969 (E_RNA)
where:
Base-Base interactions energy: -898.496
where: short stacking energy: -356.186
Base-Backbone interact. energy: -0.317
local terms energy: -391.662950
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -87.046
flat angles C4'-P-C4' energy: -84.208
flat angles P-C4'-P energy: -58.666
tors. eta vs tors. theta energy: -96.970
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: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1209.042496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.042496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.042496 (E_RNA)
where:
Base-Base interactions energy: -837.543
where: short stacking energy: -339.163
Base-Backbone interact. energy: -1.778
local terms energy: -369.721062
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -63.833
flat angles C4'-P-C4' energy: -83.226
flat angles P-C4'-P energy: -53.827
tors. eta vs tors. theta energy: -101.025
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: 471
Temperature: 1.100000
Total energy: -1205.818249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.818249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.818249 (E_RNA)
where:
Base-Base interactions energy: -804.810
where: short stacking energy: -352.414
Base-Backbone interact. energy: -2.020
local terms energy: -398.988349
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -80.004
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -57.265
tors. eta vs tors. theta energy: -114.924
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: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1028.287832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.287832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.287832 (E_RNA)
where:
Base-Base interactions energy: -653.805
where: short stacking energy: -285.025
Base-Backbone interact. energy: -1.078
local terms energy: -373.405038
where:
bonds (distance) C4'-P energy: -77.722
bonds (distance) P-C4' energy: -79.014
flat angles C4'-P-C4' energy: -79.222
flat angles P-C4'-P energy: -54.223
tors. eta vs tors. theta energy: -83.223
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: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -832.016454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.016454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.016454 (E_RNA)
where:
Base-Base interactions energy: -519.900
where: short stacking energy: -230.449
Base-Backbone interact. energy: 1.519
local terms energy: -313.634750
where:
bonds (distance) C4'-P energy: -70.165
bonds (distance) P-C4' energy: -75.384
flat angles C4'-P-C4' energy: -75.927
flat angles P-C4'-P energy: -33.988
tors. eta vs tors. theta energy: -58.171
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: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -637.685296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.685296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.685296 (E_RNA)
where:
Base-Base interactions energy: -355.080
where: short stacking energy: -172.591
Base-Backbone interact. energy: 0.142
local terms energy: -282.747376
where:
bonds (distance) C4'-P energy: -67.372
bonds (distance) P-C4' energy: -79.548
flat angles C4'-P-C4' energy: -66.800
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -29.442
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: 471
Temperature: 1.300000
Total energy: -361.788058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.788058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.788058 (E_RNA)
where:
Base-Base interactions energy: -139.219
where: short stacking energy: -96.959
Base-Backbone interact. energy: -1.671
local terms energy: -220.897185
where:
bonds (distance) C4'-P energy: -66.283
bonds (distance) P-C4' energy: -85.593
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: 4.997
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: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -298.527752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.527752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.527752 (E_RNA)
where:
Base-Base interactions energy: -96.970
where: short stacking energy: -81.423
Base-Backbone interact. energy: 0.725
local terms energy: -202.283018
where:
bonds (distance) C4'-P energy: -67.618
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -68.423
flat angles P-C4'-P energy: -37.126
tors. eta vs tors. theta energy: 36.323
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: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1415.062537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.062537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.062537 (E_RNA)
where:
Base-Base interactions energy: -966.576
where: short stacking energy: -387.811
Base-Backbone interact. energy: -0.301
local terms energy: -448.184993
where:
bonds (distance) C4'-P energy: -81.101
bonds (distance) P-C4' energy: -82.718
flat angles C4'-P-C4' energy: -96.545
flat angles P-C4'-P energy: -60.919
tors. eta vs tors. theta energy: -126.902
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: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1365.060673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.060673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.060673 (E_RNA)
where:
Base-Base interactions energy: -975.183
where: short stacking energy: -399.761
Base-Backbone interact. energy: -0.733
local terms energy: -389.144281
where:
bonds (distance) C4'-P energy: -72.320
bonds (distance) P-C4' energy: -61.910
flat angles C4'-P-C4' energy: -82.609
flat angles P-C4'-P energy: -54.474
tors. eta vs tors. theta energy: -117.833
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: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1299.073509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.073509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.073509 (E_RNA)
where:
Base-Base interactions energy: -896.847
where: short stacking energy: -343.200
Base-Backbone interact. energy: 0.071
local terms energy: -402.297113
where:
bonds (distance) C4'-P energy: -78.892
bonds (distance) P-C4' energy: -82.540
flat angles C4'-P-C4' energy: -79.807
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: -103.724
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: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1199.411838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.411838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.411838 (E_RNA)
where:
Base-Base interactions energy: -823.949
where: short stacking energy: -340.723
Base-Backbone interact. energy: -2.321
local terms energy: -373.141538
where:
bonds (distance) C4'-P energy: -65.320
bonds (distance) P-C4' energy: -76.002
flat angles C4'-P-C4' energy: -76.384
flat angles P-C4'-P energy: -51.974
tors. eta vs tors. theta energy: -103.462
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: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1219.210721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.210721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.210721 (E_RNA)
where:
Base-Base interactions energy: -828.501
where: short stacking energy: -327.328
Base-Backbone interact. energy: 1.597
local terms energy: -392.306908
where:
bonds (distance) C4'-P energy: -71.699
bonds (distance) P-C4' energy: -74.415
flat angles C4'-P-C4' energy: -87.391
flat angles P-C4'-P energy: -52.560
tors. eta vs tors. theta energy: -106.242
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: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1061.171622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.171622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.171622 (E_RNA)
where:
Base-Base interactions energy: -676.204
where: short stacking energy: -300.407
Base-Backbone interact. energy: -1.816
local terms energy: -383.151940
where:
bonds (distance) C4'-P energy: -77.493
bonds (distance) P-C4' energy: -75.899
flat angles C4'-P-C4' energy: -83.956
flat angles P-C4'-P energy: -63.994
tors. eta vs tors. theta energy: -81.811
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: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -859.160279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.160279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.160279 (E_RNA)
where:
Base-Base interactions energy: -533.236
where: short stacking energy: -224.504
Base-Backbone interact. energy: -1.090
local terms energy: -324.834313
where:
bonds (distance) C4'-P energy: -76.584
bonds (distance) P-C4' energy: -77.394
flat angles C4'-P-C4' energy: -68.425
flat angles P-C4'-P energy: -53.513
tors. eta vs tors. theta energy: -48.919
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: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -709.436136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.436136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.436136 (E_RNA)
where:
Base-Base interactions energy: -427.611
where: short stacking energy: -197.415
Base-Backbone interact. energy: -4.065
local terms energy: -277.760803
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -84.446
flat angles C4'-P-C4' energy: -73.563
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -33.433
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: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -354.266878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.266878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.266878 (E_RNA)
where:
Base-Base interactions energy: -135.265
where: short stacking energy: -96.728
Base-Backbone interact. energy: 7.637
local terms energy: -226.639196
where:
bonds (distance) C4'-P energy: -67.014
bonds (distance) P-C4' energy: -68.078
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -38.922
tors. eta vs tors. theta energy: 2.916
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: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -335.949910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.949910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.949910 (E_RNA)
where:
Base-Base interactions energy: -116.075
where: short stacking energy: -90.895
Base-Backbone interact. energy: -0.722
local terms energy: -219.152551
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -76.955
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -1.369
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: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1413.927107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.927107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.927107 (E_RNA)
where:
Base-Base interactions energy: -976.972
where: short stacking energy: -400.821
Base-Backbone interact. energy: -1.150
local terms energy: -435.805006
where:
bonds (distance) C4'-P energy: -77.948
bonds (distance) P-C4' energy: -82.478
flat angles C4'-P-C4' energy: -87.397
flat angles P-C4'-P energy: -57.101
tors. eta vs tors. theta energy: -130.881
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: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1343.253481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.253481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.253481 (E_RNA)
where:
Base-Base interactions energy: -918.723
where: short stacking energy: -374.301
Base-Backbone interact. energy: -0.714
local terms energy: -423.816344
where:
bonds (distance) C4'-P energy: -79.051
bonds (distance) P-C4' energy: -75.748
flat angles C4'-P-C4' energy: -87.410
flat angles P-C4'-P energy: -60.603
tors. eta vs tors. theta energy: -121.004
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: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1322.494831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.494831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.494831 (E_RNA)
where:
Base-Base interactions energy: -906.276
where: short stacking energy: -360.165
Base-Backbone interact. energy: -2.890
local terms energy: -413.328684
where:
bonds (distance) C4'-P energy: -74.807
bonds (distance) P-C4' energy: -88.747
flat angles C4'-P-C4' energy: -95.138
flat angles P-C4'-P energy: -53.850
tors. eta vs tors. theta energy: -100.788
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: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1216.914904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.914904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.914904 (E_RNA)
where:
Base-Base interactions energy: -830.479
where: short stacking energy: -376.588
Base-Backbone interact. energy: -1.110
local terms energy: -385.325798
where:
bonds (distance) C4'-P energy: -70.203
bonds (distance) P-C4' energy: -79.922
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -47.499
tors. eta vs tors. theta energy: -103.721
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: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1209.531695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.531695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.531695 (E_RNA)
where:
Base-Base interactions energy: -822.464
where: short stacking energy: -347.125
Base-Backbone interact. energy: 0.534
local terms energy: -387.602148
where:
bonds (distance) C4'-P energy: -80.113
bonds (distance) P-C4' energy: -73.378
flat angles C4'-P-C4' energy: -80.531
flat angles P-C4'-P energy: -47.456
tors. eta vs tors. theta energy: -106.124
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: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1083.193551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.193551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.193551 (E_RNA)
where:
Base-Base interactions energy: -706.633
where: short stacking energy: -307.801
Base-Backbone interact. energy: -1.077
local terms energy: -375.483675
where:
bonds (distance) C4'-P energy: -75.645
bonds (distance) P-C4' energy: -70.804
flat angles C4'-P-C4' energy: -87.692
flat angles P-C4'-P energy: -53.910
tors. eta vs tors. theta energy: -87.432
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: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -891.115288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.115288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.115288 (E_RNA)
where:
Base-Base interactions energy: -595.363
where: short stacking energy: -253.004
Base-Backbone interact. energy: 0.505
local terms energy: -296.257720
where:
bonds (distance) C4'-P energy: -69.550
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -51.154
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -684.724436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.724436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.724436 (E_RNA)
where:
Base-Base interactions energy: -412.394
where: short stacking energy: -194.707
Base-Backbone interact. energy: 5.482
local terms energy: -277.812938
where:
bonds (distance) C4'-P energy: -57.140
bonds (distance) P-C4' energy: -68.804
flat angles C4'-P-C4' energy: -69.034
flat angles P-C4'-P energy: -50.639
tors. eta vs tors. theta energy: -32.197
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: 473
Temperature: 1.300000
Total energy: -347.652672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.652672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.652672 (E_RNA)
where:
Base-Base interactions energy: -135.704
where: short stacking energy: -91.274
Base-Backbone interact. energy: 5.845
local terms energy: -217.793915
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -75.306
flat angles C4'-P-C4' energy: -62.634
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: 4.432
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: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -322.457917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.457917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.457917 (E_RNA)
where:
Base-Base interactions energy: -137.589
where: short stacking energy: -101.542
Base-Backbone interact. energy: 0.864
local terms energy: -185.732806
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -67.155
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -25.581
tors. eta vs tors. theta energy: 15.324
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: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1390.817553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.817553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.817553 (E_RNA)
where:
Base-Base interactions energy: -955.168
where: short stacking energy: -398.906
Base-Backbone interact. energy: -0.607
local terms energy: -435.042623
where:
bonds (distance) C4'-P energy: -86.821
bonds (distance) P-C4' energy: -80.605
flat angles C4'-P-C4' energy: -88.635
flat angles P-C4'-P energy: -48.017
tors. eta vs tors. theta energy: -130.965
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: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1364.060664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.060664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.060664 (E_RNA)
where:
Base-Base interactions energy: -940.868
where: short stacking energy: -371.434
Base-Backbone interact. energy: -1.505
local terms energy: -421.687370
where:
bonds (distance) C4'-P energy: -75.229
bonds (distance) P-C4' energy: -80.869
flat angles C4'-P-C4' energy: -89.462
flat angles P-C4'-P energy: -62.101
tors. eta vs tors. theta energy: -114.027
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: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1262.434037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.434037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.434037 (E_RNA)
where:
Base-Base interactions energy: -860.189
where: short stacking energy: -353.698
Base-Backbone interact. energy: -2.704
local terms energy: -399.540425
where:
bonds (distance) C4'-P energy: -76.688
bonds (distance) P-C4' energy: -81.691
flat angles C4'-P-C4' energy: -83.240
flat angles P-C4'-P energy: -56.091
tors. eta vs tors. theta energy: -101.832
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: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1262.196826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.196826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.196826 (E_RNA)
where:
Base-Base interactions energy: -889.302
where: short stacking energy: -358.214
Base-Backbone interact. energy: 2.424
local terms energy: -375.318399
where:
bonds (distance) C4'-P energy: -54.438
bonds (distance) P-C4' energy: -83.538
flat angles C4'-P-C4' energy: -83.732
flat angles P-C4'-P energy: -48.597
tors. eta vs tors. theta energy: -105.014
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: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1207.949988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.949988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.949988 (E_RNA)
where:
Base-Base interactions energy: -813.717
where: short stacking energy: -340.610
Base-Backbone interact. energy: -0.844
local terms energy: -393.388920
where:
bonds (distance) C4'-P energy: -65.537
bonds (distance) P-C4' energy: -75.718
flat angles C4'-P-C4' energy: -86.247
flat angles P-C4'-P energy: -57.011
tors. eta vs tors. theta energy: -108.876
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: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1081.346377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.346377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.346377 (E_RNA)
where:
Base-Base interactions energy: -712.589
where: short stacking energy: -289.282
Base-Backbone interact. energy: 0.139
local terms energy: -368.896395
where:
bonds (distance) C4'-P energy: -75.932
bonds (distance) P-C4' energy: -75.776
flat angles C4'-P-C4' energy: -76.866
flat angles P-C4'-P energy: -50.652
tors. eta vs tors. theta energy: -89.670
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: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -831.156691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.156691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.156691 (E_RNA)
where:
Base-Base interactions energy: -526.616
where: short stacking energy: -217.196
Base-Backbone interact. energy: 1.649
local terms energy: -306.190033
where:
bonds (distance) C4'-P energy: -74.140
bonds (distance) P-C4' energy: -74.567
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -44.584
tors. eta vs tors. theta energy: -49.360
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: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -673.998850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.998850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.998850 (E_RNA)
where:
Base-Base interactions energy: -391.156
where: short stacking energy: -183.264
Base-Backbone interact. energy: 2.176
local terms energy: -285.018345
where:
bonds (distance) C4'-P energy: -81.214
bonds (distance) P-C4' energy: -65.980
flat angles C4'-P-C4' energy: -72.387
flat angles P-C4'-P energy: -38.072
tors. eta vs tors. theta energy: -27.367
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: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -340.002482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.002482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.002482 (E_RNA)
where:
Base-Base interactions energy: -100.710
where: short stacking energy: -83.852
Base-Backbone interact. energy: -2.112
local terms energy: -237.181193
where:
bonds (distance) C4'-P energy: -61.660
bonds (distance) P-C4' energy: -69.483
flat angles C4'-P-C4' energy: -67.002
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: 2.015
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: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -316.958494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.958494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.958494 (E_RNA)
where:
Base-Base interactions energy: -118.969
where: short stacking energy: -105.725
Base-Backbone interact. energy: -1.044
local terms energy: -196.945928
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -48.283
flat angles C4'-P-C4' energy: -74.087
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: 4.854
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: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1415.554822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.554822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.554822 (E_RNA)
where:
Base-Base interactions energy: -963.918
where: short stacking energy: -408.378
Base-Backbone interact. energy: -1.887
local terms energy: -449.749262
where:
bonds (distance) C4'-P energy: -83.774
bonds (distance) P-C4' energy: -78.852
flat angles C4'-P-C4' energy: -94.053
flat angles P-C4'-P energy: -58.707
tors. eta vs tors. theta energy: -134.364
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: 475
Temperature: 0.950000
Total energy: -1354.330582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.330582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.330582 (E_RNA)
where:
Base-Base interactions energy: -930.791
where: short stacking energy: -394.278
Base-Backbone interact. energy: -1.127
local terms energy: -422.412490
where:
bonds (distance) C4'-P energy: -84.702
bonds (distance) P-C4' energy: -65.212
flat angles C4'-P-C4' energy: -94.833
flat angles P-C4'-P energy: -54.892
tors. eta vs tors. theta energy: -122.773
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: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1275.046166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.046166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.046166 (E_RNA)
where:
Base-Base interactions energy: -850.276
where: short stacking energy: -349.605
Base-Backbone interact. energy: -2.054
local terms energy: -422.715671
where:
bonds (distance) C4'-P energy: -77.384
bonds (distance) P-C4' energy: -81.155
flat angles C4'-P-C4' energy: -88.097
flat angles P-C4'-P energy: -66.023
tors. eta vs tors. theta energy: -110.056
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: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1245.924723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.924723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.924723 (E_RNA)
where:
Base-Base interactions energy: -852.407
where: short stacking energy: -378.469
Base-Backbone interact. energy: -0.792
local terms energy: -392.726148
where:
bonds (distance) C4'-P energy: -69.519
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -80.624
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -113.503
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: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1238.089444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.089444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.089444 (E_RNA)
where:
Base-Base interactions energy: -878.750
where: short stacking energy: -344.354
Base-Backbone interact. energy: -3.129
local terms energy: -356.210808
where:
bonds (distance) C4'-P energy: -63.952
bonds (distance) P-C4' energy: -66.346
flat angles C4'-P-C4' energy: -76.369
flat angles P-C4'-P energy: -55.374
tors. eta vs tors. theta energy: -94.170
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: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1090.422605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.422605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.422605 (E_RNA)
where:
Base-Base interactions energy: -721.238
where: short stacking energy: -301.523
Base-Backbone interact. energy: -3.590
local terms energy: -365.594193
where:
bonds (distance) C4'-P energy: -67.048
bonds (distance) P-C4' energy: -82.459
flat angles C4'-P-C4' energy: -69.787
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -86.021
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: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -875.157968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.157968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.157968 (E_RNA)
where:
Base-Base interactions energy: -564.063
where: short stacking energy: -243.484
Base-Backbone interact. energy: 0.172
local terms energy: -311.267671
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -71.582
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: -56.629
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: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -741.165364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.165364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.165364 (E_RNA)
where:
Base-Base interactions energy: -441.495
where: short stacking energy: -187.906
Base-Backbone interact. energy: -1.116
local terms energy: -298.554388
where:
bonds (distance) C4'-P energy: -70.024
bonds (distance) P-C4' energy: -65.065
flat angles C4'-P-C4' energy: -60.266
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -51.563
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: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -376.894939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.894939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.894939 (E_RNA)
where:
Base-Base interactions energy: -170.770
where: short stacking energy: -112.950
Base-Backbone interact. energy: -0.228
local terms energy: -205.896739
where:
bonds (distance) C4'-P energy: -48.615
bonds (distance) P-C4' energy: -73.656
flat angles C4'-P-C4' energy: -48.890
flat angles P-C4'-P energy: -30.018
tors. eta vs tors. theta energy: -4.718
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: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -316.362779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.362779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.362779 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -73.729
Base-Backbone interact. energy: 0.791
local terms energy: -175.804380
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -79.918
flat angles C4'-P-C4' energy: -48.555
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: 27.470
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: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1394.332528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.332528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.332528 (E_RNA)
where:
Base-Base interactions energy: -954.702
where: short stacking energy: -401.235
Base-Backbone interact. energy: -1.939
local terms energy: -437.691550
where:
bonds (distance) C4'-P energy: -81.958
bonds (distance) P-C4' energy: -76.022
flat angles C4'-P-C4' energy: -99.732
flat angles P-C4'-P energy: -48.948
tors. eta vs tors. theta energy: -131.031
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: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1355.898892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.898892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.898892 (E_RNA)
where:
Base-Base interactions energy: -947.765
where: short stacking energy: -393.026
Base-Backbone interact. energy: -0.369
local terms energy: -407.764959
where:
bonds (distance) C4'-P energy: -71.846
bonds (distance) P-C4' energy: -81.997
flat angles C4'-P-C4' energy: -80.780
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -123.521
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: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1271.693347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.693347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.693347 (E_RNA)
where:
Base-Base interactions energy: -859.118
where: short stacking energy: -364.086
Base-Backbone interact. energy: 0.869
local terms energy: -413.444012
where:
bonds (distance) C4'-P energy: -82.135
bonds (distance) P-C4' energy: -77.129
flat angles C4'-P-C4' energy: -84.605
flat angles P-C4'-P energy: -56.808
tors. eta vs tors. theta energy: -112.766
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: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1233.095286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.095286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.095286 (E_RNA)
where:
Base-Base interactions energy: -829.973
where: short stacking energy: -341.920
Base-Backbone interact. energy: -1.519
local terms energy: -401.603248
where:
bonds (distance) C4'-P energy: -79.504
bonds (distance) P-C4' energy: -74.679
flat angles C4'-P-C4' energy: -86.121
flat angles P-C4'-P energy: -56.445
tors. eta vs tors. theta energy: -104.855
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1218.639538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.639538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.639538 (E_RNA)
where:
Base-Base interactions energy: -841.164
where: short stacking energy: -331.032
Base-Backbone interact. energy: -0.009
local terms energy: -377.466629
where:
bonds (distance) C4'-P energy: -63.481
bonds (distance) P-C4' energy: -72.352
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -65.872
tors. eta vs tors. theta energy: -95.363
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: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1126.499379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.499379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.499379 (E_RNA)
where:
Base-Base interactions energy: -746.818
where: short stacking energy: -320.900
Base-Backbone interact. energy: -2.531
local terms energy: -377.149872
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -77.255
flat angles C4'-P-C4' energy: -84.385
flat angles P-C4'-P energy: -50.007
tors. eta vs tors. theta energy: -93.322
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: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -866.594038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.594038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.594038 (E_RNA)
where:
Base-Base interactions energy: -551.940
where: short stacking energy: -254.053
Base-Backbone interact. energy: 1.843
local terms energy: -316.497137
where:
bonds (distance) C4'-P energy: -76.280
bonds (distance) P-C4' energy: -71.889
flat angles C4'-P-C4' energy: -61.260
flat angles P-C4'-P energy: -46.026
tors. eta vs tors. theta energy: -61.041
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -746.292198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.292198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.292198 (E_RNA)
where:
Base-Base interactions energy: -459.478
where: short stacking energy: -193.237
Base-Backbone interact. energy: 0.706
local terms energy: -287.520894
where:
bonds (distance) C4'-P energy: -67.853
bonds (distance) P-C4' energy: -70.817
flat angles C4'-P-C4' energy: -67.781
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -39.284
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: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -378.885284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.885284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.885284 (E_RNA)
where:
Base-Base interactions energy: -133.481
where: short stacking energy: -115.923
Base-Backbone interact. energy: -1.090
local terms energy: -244.313931
where:
bonds (distance) C4'-P energy: -71.614
bonds (distance) P-C4' energy: -75.967
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -35.417
tors. eta vs tors. theta energy: 1.736
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: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -314.135812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.135812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.135812 (E_RNA)
where:
Base-Base interactions energy: -112.359
where: short stacking energy: -94.534
Base-Backbone interact. energy: -1.204
local terms energy: -200.572509
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -65.139
flat angles C4'-P-C4' energy: -44.914
flat angles P-C4'-P energy: -31.871
tors. eta vs tors. theta energy: 11.178
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: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1400.067751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.067751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.067751 (E_RNA)
where:
Base-Base interactions energy: -963.405
where: short stacking energy: -402.626
Base-Backbone interact. energy: 4.199
local terms energy: -440.861904
where:
bonds (distance) C4'-P energy: -77.807
bonds (distance) P-C4' energy: -79.851
flat angles C4'-P-C4' energy: -93.467
flat angles P-C4'-P energy: -62.396
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1303.820793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.820793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.820793 (E_RNA)
where:
Base-Base interactions energy: -889.343
where: short stacking energy: -366.562
Base-Backbone interact. energy: -0.096
local terms energy: -414.381747
where:
bonds (distance) C4'-P energy: -85.959
bonds (distance) P-C4' energy: -74.134
flat angles C4'-P-C4' energy: -88.402
flat angles P-C4'-P energy: -58.366
tors. eta vs tors. theta energy: -107.522
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: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1287.960023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.960023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.960023 (E_RNA)
where:
Base-Base interactions energy: -881.768
where: short stacking energy: -371.718
Base-Backbone interact. energy: -3.472
local terms energy: -402.720567
where:
bonds (distance) C4'-P energy: -73.896
bonds (distance) P-C4' energy: -78.906
flat angles C4'-P-C4' energy: -81.160
flat angles P-C4'-P energy: -52.620
tors. eta vs tors. theta energy: -116.139
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: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1223.654195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.654195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.654195 (E_RNA)
where:
Base-Base interactions energy: -846.767
where: short stacking energy: -374.821
Base-Backbone interact. energy: -2.909
local terms energy: -373.978104
where:
bonds (distance) C4'-P energy: -70.330
bonds (distance) P-C4' energy: -64.095
flat angles C4'-P-C4' energy: -76.336
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -111.252
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: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1192.207762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.207762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.207762 (E_RNA)
where:
Base-Base interactions energy: -814.349
where: short stacking energy: -335.054
Base-Backbone interact. energy: -0.113
local terms energy: -377.746008
where:
bonds (distance) C4'-P energy: -64.066
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -86.278
flat angles P-C4'-P energy: -50.359
tors. eta vs tors. theta energy: -89.847
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: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1080.684820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.684820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.684820 (E_RNA)
where:
Base-Base interactions energy: -721.362
where: short stacking energy: -296.126
Base-Backbone interact. energy: -0.868
local terms energy: -358.455294
where:
bonds (distance) C4'-P energy: -69.069
bonds (distance) P-C4' energy: -67.206
flat angles C4'-P-C4' energy: -75.220
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -90.103
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: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -888.277244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.277244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.277244 (E_RNA)
where:
Base-Base interactions energy: -550.792
where: short stacking energy: -248.839
Base-Backbone interact. energy: 0.678
local terms energy: -338.163362
where:
bonds (distance) C4'-P energy: -74.082
bonds (distance) P-C4' energy: -83.638
flat angles C4'-P-C4' energy: -72.578
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -69.594
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: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -739.645510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.645510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.645510 (E_RNA)
where:
Base-Base interactions energy: -461.602
where: short stacking energy: -225.428
Base-Backbone interact. energy: 1.368
local terms energy: -279.411304
where:
bonds (distance) C4'-P energy: -58.522
bonds (distance) P-C4' energy: -65.545
flat angles C4'-P-C4' energy: -71.060
flat angles P-C4'-P energy: -46.049
tors. eta vs tors. theta energy: -38.235
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: 477
Temperature: 1.300000
Total energy: -362.549854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.549854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.549854 (E_RNA)
where:
Base-Base interactions energy: -144.296
where: short stacking energy: -110.037
Base-Backbone interact. energy: 3.955
local terms energy: -222.208243
where:
bonds (distance) C4'-P energy: -66.003
bonds (distance) P-C4' energy: -78.091
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: 3.523
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -323.966196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.966196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.966196 (E_RNA)
where:
Base-Base interactions energy: -115.326
where: short stacking energy: -100.751
Base-Backbone interact. energy: 2.227
local terms energy: -210.866959
where:
bonds (distance) C4'-P energy: -65.179
bonds (distance) P-C4' energy: -76.218
flat angles C4'-P-C4' energy: -50.900
flat angles P-C4'-P energy: -33.383
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: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1387.428095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.428095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.428095 (E_RNA)
where:
Base-Base interactions energy: -934.149
where: short stacking energy: -394.816
Base-Backbone interact. energy: -0.950
local terms energy: -452.329565
where:
bonds (distance) C4'-P energy: -84.307
bonds (distance) P-C4' energy: -85.173
flat angles C4'-P-C4' energy: -92.641
flat angles P-C4'-P energy: -56.820
tors. eta vs tors. theta energy: -133.388
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: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1301.792067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.792067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.792067 (E_RNA)
where:
Base-Base interactions energy: -888.058
where: short stacking energy: -388.564
Base-Backbone interact. energy: 1.502
local terms energy: -415.235152
where:
bonds (distance) C4'-P energy: -79.846
bonds (distance) P-C4' energy: -80.711
flat angles C4'-P-C4' energy: -86.639
flat angles P-C4'-P energy: -59.805
tors. eta vs tors. theta energy: -108.234
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: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1333.854934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.854934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.854934 (E_RNA)
where:
Base-Base interactions energy: -921.248
where: short stacking energy: -377.004
Base-Backbone interact. energy: -2.939
local terms energy: -409.668053
where:
bonds (distance) C4'-P energy: -75.913
bonds (distance) P-C4' energy: -77.370
flat angles C4'-P-C4' energy: -85.861
flat angles P-C4'-P energy: -55.458
tors. eta vs tors. theta energy: -115.066
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: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1245.928661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.928661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.928661 (E_RNA)
where:
Base-Base interactions energy: -861.794
where: short stacking energy: -371.973
Base-Backbone interact. energy: 1.443
local terms energy: -385.577649
where:
bonds (distance) C4'-P energy: -68.683
bonds (distance) P-C4' energy: -69.570
flat angles C4'-P-C4' energy: -87.430
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -114.109
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: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1178.213449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.213449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.213449 (E_RNA)
where:
Base-Base interactions energy: -811.983
where: short stacking energy: -302.374
Base-Backbone interact. energy: -3.480
local terms energy: -362.750335
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -65.852
flat angles C4'-P-C4' energy: -87.856
flat angles P-C4'-P energy: -50.203
tors. eta vs tors. theta energy: -95.269
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: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1062.693323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.693323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.693323 (E_RNA)
where:
Base-Base interactions energy: -708.181
where: short stacking energy: -294.012
Base-Backbone interact. energy: 0.896
local terms energy: -355.407975
where:
bonds (distance) C4'-P energy: -62.339
bonds (distance) P-C4' energy: -74.524
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -85.591
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: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -809.680990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.680990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.680990 (E_RNA)
where:
Base-Base interactions energy: -479.283
where: short stacking energy: -223.074
Base-Backbone interact. energy: 5.615
local terms energy: -336.013143
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -86.198
flat angles C4'-P-C4' energy: -79.270
flat angles P-C4'-P energy: -45.428
tors. eta vs tors. theta energy: -54.207
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -748.034733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.034733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.034733 (E_RNA)
where:
Base-Base interactions energy: -433.602
where: short stacking energy: -198.883
Base-Backbone interact. energy: -2.196
local terms energy: -312.236827
where:
bonds (distance) C4'-P energy: -75.468
bonds (distance) P-C4' energy: -65.799
flat angles C4'-P-C4' energy: -75.306
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -46.923
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: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -343.985979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.985979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.985979 (E_RNA)
where:
Base-Base interactions energy: -124.933
where: short stacking energy: -94.866
Base-Backbone interact. energy: 1.765
local terms energy: -220.818282
where:
bonds (distance) C4'-P energy: -71.925
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -67.958
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: 7.236
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -321.563888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.563888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.563888 (E_RNA)
where:
Base-Base interactions energy: -108.607
where: short stacking energy: -88.897
Base-Backbone interact. energy: -0.852
local terms energy: -212.105728
where:
bonds (distance) C4'-P energy: -57.513
bonds (distance) P-C4' energy: -60.266
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: 6.552
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: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1403.839361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.839361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.839361 (E_RNA)
where:
Base-Base interactions energy: -964.609
where: short stacking energy: -403.188
Base-Backbone interact. energy: 1.184
local terms energy: -440.414496
where:
bonds (distance) C4'-P energy: -79.940
bonds (distance) P-C4' energy: -63.080
flat angles C4'-P-C4' energy: -95.512
flat angles P-C4'-P energy: -67.824
tors. eta vs tors. theta energy: -134.058
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: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1300.958043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.958043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.958043 (E_RNA)
where:
Base-Base interactions energy: -894.463
where: short stacking energy: -383.207
Base-Backbone interact. energy: -2.221
local terms energy: -404.274542
where:
bonds (distance) C4'-P energy: -65.156
bonds (distance) P-C4' energy: -73.646
flat angles C4'-P-C4' energy: -84.999
flat angles P-C4'-P energy: -62.953
tors. eta vs tors. theta energy: -117.521
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: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1326.412058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.412058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.412058 (E_RNA)
where:
Base-Base interactions energy: -918.744
where: short stacking energy: -368.754
Base-Backbone interact. energy: -3.761
local terms energy: -403.907088
where:
bonds (distance) C4'-P energy: -74.285
bonds (distance) P-C4' energy: -67.472
flat angles C4'-P-C4' energy: -89.344
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: -113.172
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: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1247.365977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.365977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.365977 (E_RNA)
where:
Base-Base interactions energy: -856.215
where: short stacking energy: -366.933
Base-Backbone interact. energy: -3.224
local terms energy: -387.926844
where:
bonds (distance) C4'-P energy: -67.169
bonds (distance) P-C4' energy: -70.549
flat angles C4'-P-C4' energy: -85.729
flat angles P-C4'-P energy: -59.261
tors. eta vs tors. theta energy: -105.218
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: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1159.085305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.085305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.085305 (E_RNA)
where:
Base-Base interactions energy: -808.699
where: short stacking energy: -315.651
Base-Backbone interact. energy: -0.543
local terms energy: -349.843828
where:
bonds (distance) C4'-P energy: -74.873
bonds (distance) P-C4' energy: -69.008
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -86.646
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: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1118.632707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.632707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.632707 (E_RNA)
where:
Base-Base interactions energy: -759.267
where: short stacking energy: -324.198
Base-Backbone interact. energy: 0.253
local terms energy: -359.618662
where:
bonds (distance) C4'-P energy: -61.331
bonds (distance) P-C4' energy: -75.776
flat angles C4'-P-C4' energy: -80.176
flat angles P-C4'-P energy: -51.807
tors. eta vs tors. theta energy: -90.529
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: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -819.070283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.070283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.070283 (E_RNA)
where:
Base-Base interactions energy: -524.381
where: short stacking energy: -211.358
Base-Backbone interact. energy: -3.061
local terms energy: -291.628311
where:
bonds (distance) C4'-P energy: -66.624
bonds (distance) P-C4' energy: -70.287
flat angles C4'-P-C4' energy: -70.512
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -38.350
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -691.221964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.221964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.221964 (E_RNA)
where:
Base-Base interactions energy: -428.998
where: short stacking energy: -208.698
Base-Backbone interact. energy: -1.963
local terms energy: -260.260896
where:
bonds (distance) C4'-P energy: -73.826
bonds (distance) P-C4' energy: -60.283
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -40.725
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: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -340.320178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.320178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.320178 (E_RNA)
where:
Base-Base interactions energy: -139.755
where: short stacking energy: -96.537
Base-Backbone interact. energy: -1.047
local terms energy: -199.518113
where:
bonds (distance) C4'-P energy: -62.731
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -62.853
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: 8.990
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: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -300.408949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.408949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.408949 (E_RNA)
where:
Base-Base interactions energy: -95.671
where: short stacking energy: -83.739
Base-Backbone interact. energy: -1.826
local terms energy: -202.911989
where:
bonds (distance) C4'-P energy: -66.242
bonds (distance) P-C4' energy: -80.453
flat angles C4'-P-C4' energy: -39.137
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: 20.484
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: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1383.246597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.246597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.246597 (E_RNA)
where:
Base-Base interactions energy: -941.423
where: short stacking energy: -395.756
Base-Backbone interact. energy: 0.021
local terms energy: -441.843751
where:
bonds (distance) C4'-P energy: -86.705
bonds (distance) P-C4' energy: -87.945
flat angles C4'-P-C4' energy: -92.270
flat angles P-C4'-P energy: -53.626
tors. eta vs tors. theta energy: -121.298
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: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1313.504882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.504882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.504882 (E_RNA)
where:
Base-Base interactions energy: -891.508
where: short stacking energy: -367.031
Base-Backbone interact. energy: -1.337
local terms energy: -420.659949
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -78.240
flat angles C4'-P-C4' energy: -95.134
flat angles P-C4'-P energy: -61.813
tors. eta vs tors. theta energy: -113.192
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: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1292.845595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.845595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.845595 (E_RNA)
where:
Base-Base interactions energy: -897.878
where: short stacking energy: -367.200
Base-Backbone interact. energy: -1.922
local terms energy: -393.045874
where:
bonds (distance) C4'-P energy: -68.425
bonds (distance) P-C4' energy: -80.995
flat angles C4'-P-C4' energy: -81.969
flat angles P-C4'-P energy: -47.717
tors. eta vs tors. theta energy: -113.940
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: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1259.270795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.270795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.270795 (E_RNA)
where:
Base-Base interactions energy: -883.794
where: short stacking energy: -380.126
Base-Backbone interact. energy: -2.584
local terms energy: -372.891942
where:
bonds (distance) C4'-P energy: -65.715
bonds (distance) P-C4' energy: -75.928
flat angles C4'-P-C4' energy: -75.894
flat angles P-C4'-P energy: -45.721
tors. eta vs tors. theta energy: -109.634
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: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1136.403444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.403444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.403444 (E_RNA)
where:
Base-Base interactions energy: -752.797
where: short stacking energy: -305.867
Base-Backbone interact. energy: -2.036
local terms energy: -381.570257
where:
bonds (distance) C4'-P energy: -66.859
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -84.128
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: -94.093
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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1112.842800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.842800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.842800 (E_RNA)
where:
Base-Base interactions energy: -775.256
where: short stacking energy: -309.346
Base-Backbone interact. energy: -1.130
local terms energy: -336.456518
where:
bonds (distance) C4'-P energy: -57.765
bonds (distance) P-C4' energy: -76.490
flat angles C4'-P-C4' energy: -74.320
flat angles P-C4'-P energy: -43.990
tors. eta vs tors. theta energy: -83.892
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: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -820.060748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.060748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.060748 (E_RNA)
where:
Base-Base interactions energy: -519.993
where: short stacking energy: -231.558
Base-Backbone interact. energy: -1.590
local terms energy: -298.477419
where:
bonds (distance) C4'-P energy: -71.787
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -64.969
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -55.812
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -642.881650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.881650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.881650 (E_RNA)
where:
Base-Base interactions energy: -378.824
where: short stacking energy: -186.118
Base-Backbone interact. energy: -1.445
local terms energy: -262.612334
where:
bonds (distance) C4'-P energy: -63.713
bonds (distance) P-C4' energy: -64.637
flat angles C4'-P-C4' energy: -67.825
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -21.655
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: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -350.196343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.196343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.196343 (E_RNA)
where:
Base-Base interactions energy: -113.881
where: short stacking energy: -80.641
Base-Backbone interact. energy: -3.263
local terms energy: -233.052285
where:
bonds (distance) C4'-P energy: -78.401
bonds (distance) P-C4' energy: -68.731
flat angles C4'-P-C4' energy: -53.105
flat angles P-C4'-P energy: -45.719
tors. eta vs tors. theta energy: 12.904
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: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -316.347682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.347682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.347682 (E_RNA)
where:
Base-Base interactions energy: -109.230
where: short stacking energy: -88.263
Base-Backbone interact. energy: -0.506
local terms energy: -206.611171
where:
bonds (distance) C4'-P energy: -73.510
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -52.384
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: 10.838
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: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1388.259289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.259289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.259289 (E_RNA)
where:
Base-Base interactions energy: -950.577
where: short stacking energy: -399.307
Base-Backbone interact. energy: -0.549
local terms energy: -437.133638
where:
bonds (distance) C4'-P energy: -81.999
bonds (distance) P-C4' energy: -74.590
flat angles C4'-P-C4' energy: -89.609
flat angles P-C4'-P energy: -56.505
tors. eta vs tors. theta energy: -134.430
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: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1321.621188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.621188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.621188 (E_RNA)
where:
Base-Base interactions energy: -915.393
where: short stacking energy: -375.768
Base-Backbone interact. energy: -4.546
local terms energy: -401.682332
where:
bonds (distance) C4'-P energy: -78.767
bonds (distance) P-C4' energy: -76.676
flat angles C4'-P-C4' energy: -73.557
flat angles P-C4'-P energy: -55.066
tors. eta vs tors. theta energy: -117.615
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: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1283.318259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.318259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.318259 (E_RNA)
where:
Base-Base interactions energy: -882.240
where: short stacking energy: -371.034
Base-Backbone interact. energy: -1.082
local terms energy: -399.996420
where:
bonds (distance) C4'-P energy: -67.275
bonds (distance) P-C4' energy: -78.654
flat angles C4'-P-C4' energy: -85.919
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -108.502
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: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1209.552554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.552554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.552554 (E_RNA)
where:
Base-Base interactions energy: -808.562
where: short stacking energy: -337.239
Base-Backbone interact. energy: -1.001
local terms energy: -399.989856
where:
bonds (distance) C4'-P energy: -74.452
bonds (distance) P-C4' energy: -82.180
flat angles C4'-P-C4' energy: -81.705
flat angles P-C4'-P energy: -56.992
tors. eta vs tors. theta energy: -104.660
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: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1107.029563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.029563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.029563 (E_RNA)
where:
Base-Base interactions energy: -748.465
where: short stacking energy: -333.553
Base-Backbone interact. energy: 1.752
local terms energy: -360.316840
where:
bonds (distance) C4'-P energy: -70.983
bonds (distance) P-C4' energy: -72.735
flat angles C4'-P-C4' energy: -77.428
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -93.212
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: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1158.984641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.984641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.984641 (E_RNA)
where:
Base-Base interactions energy: -785.693
where: short stacking energy: -315.506
Base-Backbone interact. energy: 0.937
local terms energy: -374.228850
where:
bonds (distance) C4'-P energy: -82.286
bonds (distance) P-C4' energy: -76.201
flat angles C4'-P-C4' energy: -75.368
flat angles P-C4'-P energy: -47.212
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: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -898.188837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.188837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.188837 (E_RNA)
where:
Base-Base interactions energy: -575.558
where: short stacking energy: -238.724
Base-Backbone interact. energy: 2.920
local terms energy: -325.551659
where:
bonds (distance) C4'-P energy: -76.575
bonds (distance) P-C4' energy: -76.784
flat angles C4'-P-C4' energy: -72.555
flat angles P-C4'-P energy: -38.609
tors. eta vs tors. theta energy: -61.030
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: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -603.206220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.206220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.206220 (E_RNA)
where:
Base-Base interactions energy: -337.279
where: short stacking energy: -183.781
Base-Backbone interact. energy: 0.666
local terms energy: -266.593334
where:
bonds (distance) C4'-P energy: -59.991
bonds (distance) P-C4' energy: -71.614
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -25.932
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: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -350.052512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.052512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.052512 (E_RNA)
where:
Base-Base interactions energy: -125.287
where: short stacking energy: -98.576
Base-Backbone interact. energy: -0.284
local terms energy: -224.481812
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -72.645
flat angles C4'-P-C4' energy: -58.674
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: 0.988
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: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -320.128094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.128094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.128094 (E_RNA)
where:
Base-Base interactions energy: -103.501
where: short stacking energy: -93.831
Base-Backbone interact. energy: -2.985
local terms energy: -213.641190
where:
bonds (distance) C4'-P energy: -70.360
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -63.379
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: 4.500
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: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1399.374407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.374407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.374407 (E_RNA)
where:
Base-Base interactions energy: -942.814
where: short stacking energy: -400.359
Base-Backbone interact. energy: -0.703
local terms energy: -455.856819
where:
bonds (distance) C4'-P energy: -83.158
bonds (distance) P-C4' energy: -80.749
flat angles C4'-P-C4' energy: -91.427
flat angles P-C4'-P energy: -67.373
tors. eta vs tors. theta energy: -133.150
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: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1351.173932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.173932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.173932 (E_RNA)
where:
Base-Base interactions energy: -924.620
where: short stacking energy: -387.870
Base-Backbone interact. energy: -1.559
local terms energy: -424.995188
where:
bonds (distance) C4'-P energy: -86.326
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -81.203
flat angles P-C4'-P energy: -61.070
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: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1246.733871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.733871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.733871 (E_RNA)
where:
Base-Base interactions energy: -859.297
where: short stacking energy: -334.032
Base-Backbone interact. energy: 0.188
local terms energy: -387.625604
where:
bonds (distance) C4'-P energy: -75.908
bonds (distance) P-C4' energy: -82.107
flat angles C4'-P-C4' energy: -72.360
flat angles P-C4'-P energy: -55.629
tors. eta vs tors. theta energy: -101.621
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: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1168.841435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.841435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.841435 (E_RNA)
where:
Base-Base interactions energy: -788.390
where: short stacking energy: -349.492
Base-Backbone interact. energy: -0.884
local terms energy: -379.567871
where:
bonds (distance) C4'-P energy: -62.165
bonds (distance) P-C4' energy: -69.632
flat angles C4'-P-C4' energy: -81.274
flat angles P-C4'-P energy: -55.654
tors. eta vs tors. theta energy: -110.842
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: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1137.872368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.872368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.872368 (E_RNA)
where:
Base-Base interactions energy: -761.657
where: short stacking energy: -332.000
Base-Backbone interact. energy: -3.033
local terms energy: -373.182606
where:
bonds (distance) C4'-P energy: -68.915
bonds (distance) P-C4' energy: -76.566
flat angles C4'-P-C4' energy: -75.702
flat angles P-C4'-P energy: -51.604
tors. eta vs tors. theta energy: -100.396
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: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1096.880747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.880747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.880747 (E_RNA)
where:
Base-Base interactions energy: -738.790
where: short stacking energy: -295.947
Base-Backbone interact. energy: -0.369
local terms energy: -357.722207
where:
bonds (distance) C4'-P energy: -64.209
bonds (distance) P-C4' energy: -71.777
flat angles C4'-P-C4' energy: -80.452
flat angles P-C4'-P energy: -47.409
tors. eta vs tors. theta energy: -93.875
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: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -863.025692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.025692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.025692 (E_RNA)
where:
Base-Base interactions energy: -535.144
where: short stacking energy: -236.671
Base-Backbone interact. energy: -2.093
local terms energy: -325.788494
where:
bonds (distance) C4'-P energy: -72.289
bonds (distance) P-C4' energy: -78.596
flat angles C4'-P-C4' energy: -79.736
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -53.217
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: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -643.983185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.983185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.983185 (E_RNA)
where:
Base-Base interactions energy: -392.881
where: short stacking energy: -169.637
Base-Backbone interact. energy: -1.535
local terms energy: -249.567016
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -72.320
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -28.591
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: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -344.090022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.090022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.090022 (E_RNA)
where:
Base-Base interactions energy: -120.237
where: short stacking energy: -89.755
Base-Backbone interact. energy: 1.486
local terms energy: -225.339009
where:
bonds (distance) C4'-P energy: -61.364
bonds (distance) P-C4' energy: -73.172
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: 1.165
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: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -307.799575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.799575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.799575 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -97.999
Base-Backbone interact. energy: 4.566
local terms energy: -200.859749
where:
bonds (distance) C4'-P energy: -67.497
bonds (distance) P-C4' energy: -77.391
flat angles C4'-P-C4' energy: -59.092
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: 19.990
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: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1413.024202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.024202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.024202 (E_RNA)
where:
Base-Base interactions energy: -968.385
where: short stacking energy: -416.322
Base-Backbone interact. energy: 0.056
local terms energy: -444.694818
where:
bonds (distance) C4'-P energy: -80.855
bonds (distance) P-C4' energy: -79.697
flat angles C4'-P-C4' energy: -87.228
flat angles P-C4'-P energy: -68.247
tors. eta vs tors. theta energy: -128.668
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: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1347.833929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.833929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.833929 (E_RNA)
where:
Base-Base interactions energy: -915.693
where: short stacking energy: -382.887
Base-Backbone interact. energy: -0.731
local terms energy: -431.409995
where:
bonds (distance) C4'-P energy: -85.655
bonds (distance) P-C4' energy: -75.504
flat angles C4'-P-C4' energy: -82.378
flat angles P-C4'-P energy: -72.478
tors. eta vs tors. theta energy: -115.395
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: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1271.088905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.088905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.088905 (E_RNA)
where:
Base-Base interactions energy: -866.733
where: short stacking energy: -360.118
Base-Backbone interact. energy: -1.569
local terms energy: -402.786258
where:
bonds (distance) C4'-P energy: -73.865
bonds (distance) P-C4' energy: -70.129
flat angles C4'-P-C4' energy: -89.960
flat angles P-C4'-P energy: -58.230
tors. eta vs tors. theta energy: -110.603
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: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1138.268317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.268317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.268317 (E_RNA)
where:
Base-Base interactions energy: -755.196
where: short stacking energy: -306.986
Base-Backbone interact. energy: -1.999
local terms energy: -381.073102
where:
bonds (distance) C4'-P energy: -78.333
bonds (distance) P-C4' energy: -73.039
flat angles C4'-P-C4' energy: -87.202
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -89.392
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: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1191.710203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.710203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.710203 (E_RNA)
where:
Base-Base interactions energy: -828.865
where: short stacking energy: -325.650
Base-Backbone interact. energy: 2.601
local terms energy: -365.446385
where:
bonds (distance) C4'-P energy: -68.658
bonds (distance) P-C4' energy: -81.570
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -50.988
tors. eta vs tors. theta energy: -94.188
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: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1070.824413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.824413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.824413 (E_RNA)
where:
Base-Base interactions energy: -715.259
where: short stacking energy: -318.649
Base-Backbone interact. energy: -0.848
local terms energy: -354.717718
where:
bonds (distance) C4'-P energy: -71.195
bonds (distance) P-C4' energy: -66.252
flat angles C4'-P-C4' energy: -73.527
flat angles P-C4'-P energy: -50.653
tors. eta vs tors. theta energy: -93.091
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: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -895.559634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.559634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.559634 (E_RNA)
where:
Base-Base interactions energy: -586.451
where: short stacking energy: -241.805
Base-Backbone interact. energy: -0.518
local terms energy: -308.591486
where:
bonds (distance) C4'-P energy: -56.162
bonds (distance) P-C4' energy: -64.593
flat angles C4'-P-C4' energy: -77.397
flat angles P-C4'-P energy: -49.808
tors. eta vs tors. theta energy: -60.632
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: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -600.590227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.590227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.590227 (E_RNA)
where:
Base-Base interactions energy: -334.925
where: short stacking energy: -171.270
Base-Backbone interact. energy: -0.175
local terms energy: -265.490437
where:
bonds (distance) C4'-P energy: -57.202
bonds (distance) P-C4' energy: -70.865
flat angles C4'-P-C4' energy: -76.226
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -20.769
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: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -347.458220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.458220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.458220 (E_RNA)
where:
Base-Base interactions energy: -104.741
where: short stacking energy: -98.696
Base-Backbone interact. energy: 0.412
local terms energy: -243.128957
where:
bonds (distance) C4'-P energy: -61.190
bonds (distance) P-C4' energy: -73.522
flat angles C4'-P-C4' energy: -62.896
flat angles P-C4'-P energy: -46.466
tors. eta vs tors. theta energy: 0.944
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: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -366.306066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.306066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.306066 (E_RNA)
where:
Base-Base interactions energy: -146.244
where: short stacking energy: -94.830
Base-Backbone interact. energy: -1.963
local terms energy: -218.098494
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -59.042
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: 4.480
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: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1394.878116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.878116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.878116 (E_RNA)
where:
Base-Base interactions energy: -955.835
where: short stacking energy: -409.231
Base-Backbone interact. energy: -0.232
local terms energy: -438.811449
where:
bonds (distance) C4'-P energy: -66.731
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -98.783
flat angles P-C4'-P energy: -67.441
tors. eta vs tors. theta energy: -130.275
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: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1313.845609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.845609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.845609 (E_RNA)
where:
Base-Base interactions energy: -897.260
where: short stacking energy: -373.375
Base-Backbone interact. energy: 0.203
local terms energy: -416.788492
where:
bonds (distance) C4'-P energy: -78.658
bonds (distance) P-C4' energy: -75.874
flat angles C4'-P-C4' energy: -89.017
flat angles P-C4'-P energy: -53.290
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: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1264.496611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.496611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.496611 (E_RNA)
where:
Base-Base interactions energy: -863.613
where: short stacking energy: -351.055
Base-Backbone interact. energy: -1.820
local terms energy: -399.063869
where:
bonds (distance) C4'-P energy: -76.985
bonds (distance) P-C4' energy: -66.215
flat angles C4'-P-C4' energy: -84.311
flat angles P-C4'-P energy: -61.312
tors. eta vs tors. theta energy: -110.242
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: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1170.096868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.096868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.096868 (E_RNA)
where:
Base-Base interactions energy: -775.692
where: short stacking energy: -348.614
Base-Backbone interact. energy: -2.354
local terms energy: -392.050721
where:
bonds (distance) C4'-P energy: -73.976
bonds (distance) P-C4' energy: -73.889
flat angles C4'-P-C4' energy: -81.697
flat angles P-C4'-P energy: -61.983
tors. eta vs tors. theta energy: -100.506
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: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1161.689965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.689965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.689965 (E_RNA)
where:
Base-Base interactions energy: -782.900
where: short stacking energy: -320.331
Base-Backbone interact. energy: -1.692
local terms energy: -377.098360
where:
bonds (distance) C4'-P energy: -79.229
bonds (distance) P-C4' energy: -79.920
flat angles C4'-P-C4' energy: -77.562
flat angles P-C4'-P energy: -57.613
tors. eta vs tors. theta energy: -82.774
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: 484
Temperature: 1.150000
Total energy: -1108.305464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.305464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.305464 (E_RNA)
where:
Base-Base interactions energy: -718.045
where: short stacking energy: -318.447
Base-Backbone interact. energy: -0.041
local terms energy: -390.219450
where:
bonds (distance) C4'-P energy: -88.002
bonds (distance) P-C4' energy: -74.702
flat angles C4'-P-C4' energy: -71.229
flat angles P-C4'-P energy: -57.900
tors. eta vs tors. theta energy: -98.387
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: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -907.542385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.542385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.542385 (E_RNA)
where:
Base-Base interactions energy: -562.120
where: short stacking energy: -239.901
Base-Backbone interact. energy: -1.881
local terms energy: -343.541339
where:
bonds (distance) C4'-P energy: -61.222
bonds (distance) P-C4' energy: -78.460
flat angles C4'-P-C4' energy: -80.644
flat angles P-C4'-P energy: -57.490
tors. eta vs tors. theta energy: -65.725
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: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -634.152319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.152319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.152319 (E_RNA)
where:
Base-Base interactions energy: -393.542
where: short stacking energy: -174.548
Base-Backbone interact. energy: 0.232
local terms energy: -240.842785
where:
bonds (distance) C4'-P energy: -63.348
bonds (distance) P-C4' energy: -71.213
flat angles C4'-P-C4' energy: -52.371
flat angles P-C4'-P energy: -40.342
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: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -358.447515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.447515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.447515 (E_RNA)
where:
Base-Base interactions energy: -119.372
where: short stacking energy: -110.177
Base-Backbone interact. energy: -1.785
local terms energy: -237.291034
where:
bonds (distance) C4'-P energy: -72.215
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -65.821
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: 4.262
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: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -321.740872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.740872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.740872 (E_RNA)
where:
Base-Base interactions energy: -113.233
where: short stacking energy: -92.137
Base-Backbone interact. energy: 5.213
local terms energy: -213.720643
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -69.859
flat angles C4'-P-C4' energy: -60.562
flat angles P-C4'-P energy: -39.962
tors. eta vs tors. theta energy: 7.438
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: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1401.828276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.828276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.828276 (E_RNA)
where:
Base-Base interactions energy: -953.461
where: short stacking energy: -401.645
Base-Backbone interact. energy: 0.767
local terms energy: -449.134714
where:
bonds (distance) C4'-P energy: -77.240
bonds (distance) P-C4' energy: -89.752
flat angles C4'-P-C4' energy: -95.724
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: -128.571
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: 485
Temperature: 0.950000
Total energy: -1327.990349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.990349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.990349 (E_RNA)
where:
Base-Base interactions energy: -904.836
where: short stacking energy: -402.294
Base-Backbone interact. energy: -1.524
local terms energy: -421.630713
where:
bonds (distance) C4'-P energy: -82.380
bonds (distance) P-C4' energy: -75.171
flat angles C4'-P-C4' energy: -84.009
flat angles P-C4'-P energy: -56.807
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: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1317.345514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.345514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.345514 (E_RNA)
where:
Base-Base interactions energy: -896.894
where: short stacking energy: -381.304
Base-Backbone interact. energy: -0.676
local terms energy: -419.775553
where:
bonds (distance) C4'-P energy: -76.281
bonds (distance) P-C4' energy: -82.570
flat angles C4'-P-C4' energy: -87.025
flat angles P-C4'-P energy: -61.669
tors. eta vs tors. theta energy: -112.230
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: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1226.702169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.702169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.702169 (E_RNA)
where:
Base-Base interactions energy: -829.036
where: short stacking energy: -346.656
Base-Backbone interact. energy: -1.617
local terms energy: -396.049304
where:
bonds (distance) C4'-P energy: -78.948
bonds (distance) P-C4' energy: -79.189
flat angles C4'-P-C4' energy: -80.583
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: -110.596
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: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1153.314476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.314476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.314476 (E_RNA)
where:
Base-Base interactions energy: -779.217
where: short stacking energy: -317.252
Base-Backbone interact. energy: 1.330
local terms energy: -375.426649
where:
bonds (distance) C4'-P energy: -68.482
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -83.389
flat angles P-C4'-P energy: -56.681
tors. eta vs tors. theta energy: -94.480
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: 485
Temperature: 1.150000
Total energy: -1092.246388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.246388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.246388 (E_RNA)
where:
Base-Base interactions energy: -757.635
where: short stacking energy: -313.144
Base-Backbone interact. energy: 5.069
local terms energy: -339.680315
where:
bonds (distance) C4'-P energy: -70.053
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -77.075
flat angles P-C4'-P energy: -42.525
tors. eta vs tors. theta energy: -94.891
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: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -890.299805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.299805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.299805 (E_RNA)
where:
Base-Base interactions energy: -551.452
where: short stacking energy: -249.600
Base-Backbone interact. energy: -1.365
local terms energy: -337.483157
where:
bonds (distance) C4'-P energy: -67.410
bonds (distance) P-C4' energy: -63.530
flat angles C4'-P-C4' energy: -74.516
flat angles P-C4'-P energy: -60.567
tors. eta vs tors. theta energy: -71.461
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: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -619.297642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.297642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.297642 (E_RNA)
where:
Base-Base interactions energy: -346.268
where: short stacking energy: -165.210
Base-Backbone interact. energy: 0.006
local terms energy: -273.035225
where:
bonds (distance) C4'-P energy: -64.856
bonds (distance) P-C4' energy: -74.396
flat angles C4'-P-C4' energy: -65.525
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -25.064
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: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -368.721776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.721776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.721776 (E_RNA)
where:
Base-Base interactions energy: -147.141
where: short stacking energy: -98.633
Base-Backbone interact. energy: 0.003
local terms energy: -221.583964
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -65.656
flat angles C4'-P-C4' energy: -61.343
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: 2.821
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: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -338.933553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.933553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.933553 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -105.509
Base-Backbone interact. energy: 1.121
local terms energy: -201.184586
where:
bonds (distance) C4'-P energy: -60.819
bonds (distance) P-C4' energy: -65.604
flat angles C4'-P-C4' energy: -62.317
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: 6.135
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: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1416.643508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.643508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.643508 (E_RNA)
where:
Base-Base interactions energy: -968.783
where: short stacking energy: -394.411
Base-Backbone interact. energy: -0.858
local terms energy: -447.002187
where:
bonds (distance) C4'-P energy: -81.001
bonds (distance) P-C4' energy: -81.954
flat angles C4'-P-C4' energy: -96.996
flat angles P-C4'-P energy: -60.372
tors. eta vs tors. theta energy: -126.679
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: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1360.289854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.289854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.289854 (E_RNA)
where:
Base-Base interactions energy: -930.308
where: short stacking energy: -394.853
Base-Backbone interact. energy: -2.598
local terms energy: -427.383242
where:
bonds (distance) C4'-P energy: -63.581
bonds (distance) P-C4' energy: -82.514
flat angles C4'-P-C4' energy: -88.785
flat angles P-C4'-P energy: -62.647
tors. eta vs tors. theta energy: -129.856
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: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1296.906847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.906847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.906847 (E_RNA)
where:
Base-Base interactions energy: -872.108
where: short stacking energy: -360.916
Base-Backbone interact. energy: -1.213
local terms energy: -423.585950
where:
bonds (distance) C4'-P energy: -79.947
bonds (distance) P-C4' energy: -75.819
flat angles C4'-P-C4' energy: -91.188
flat angles P-C4'-P energy: -56.063
tors. eta vs tors. theta energy: -120.569
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1240.446778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.446778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.446778 (E_RNA)
where:
Base-Base interactions energy: -845.713
where: short stacking energy: -362.861
Base-Backbone interact. energy: -1.547
local terms energy: -393.186407
where:
bonds (distance) C4'-P energy: -72.954
bonds (distance) P-C4' energy: -72.786
flat angles C4'-P-C4' energy: -83.619
flat angles P-C4'-P energy: -56.400
tors. eta vs tors. theta energy: -107.427
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: 486
Temperature: 1.100000
Total energy: -1132.484944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.484944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.484944 (E_RNA)
where:
Base-Base interactions energy: -763.824
where: short stacking energy: -318.774
Base-Backbone interact. energy: -0.680
local terms energy: -367.980895
where:
bonds (distance) C4'-P energy: -67.064
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -82.982
flat angles P-C4'-P energy: -53.609
tors. eta vs tors. theta energy: -100.515
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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1102.457309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.457309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.457309 (E_RNA)
where:
Base-Base interactions energy: -750.975
where: short stacking energy: -310.665
Base-Backbone interact. energy: -3.185
local terms energy: -348.297590
where:
bonds (distance) C4'-P energy: -67.486
bonds (distance) P-C4' energy: -72.233
flat angles C4'-P-C4' energy: -73.458
flat angles P-C4'-P energy: -49.208
tors. eta vs tors. theta energy: -85.912
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -877.879817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.879817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.879817 (E_RNA)
where:
Base-Base interactions energy: -568.595
where: short stacking energy: -252.102
Base-Backbone interact. energy: 0.075
local terms energy: -309.359504
where:
bonds (distance) C4'-P energy: -57.600
bonds (distance) P-C4' energy: -76.710
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -60.039
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: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -637.307085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.307085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.307085 (E_RNA)
where:
Base-Base interactions energy: -358.699
where: short stacking energy: -182.920
Base-Backbone interact. energy: -2.579
local terms energy: -276.029185
where:
bonds (distance) C4'-P energy: -70.014
bonds (distance) P-C4' energy: -75.330
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -33.849
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: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -343.021529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.021529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.021529 (E_RNA)
where:
Base-Base interactions energy: -128.577
where: short stacking energy: -88.665
Base-Backbone interact. energy: 1.919
local terms energy: -216.363198
where:
bonds (distance) C4'-P energy: -62.678
bonds (distance) P-C4' energy: -64.647
flat angles C4'-P-C4' energy: -71.389
flat angles P-C4'-P energy: -31.471
tors. eta vs tors. theta energy: 13.822
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: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -342.010384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.010384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.010384 (E_RNA)
where:
Base-Base interactions energy: -157.433
where: short stacking energy: -103.033
Base-Backbone interact. energy: -2.451
local terms energy: -182.126850
where:
bonds (distance) C4'-P energy: -65.365
bonds (distance) P-C4' energy: -45.141
flat angles C4'-P-C4' energy: -49.705
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: 1.536
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: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1398.309959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.309959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.309959 (E_RNA)
where:
Base-Base interactions energy: -963.152
where: short stacking energy: -405.718
Base-Backbone interact. energy: -1.096
local terms energy: -434.061934
where:
bonds (distance) C4'-P energy: -77.349
bonds (distance) P-C4' energy: -82.388
flat angles C4'-P-C4' energy: -88.257
flat angles P-C4'-P energy: -52.618
tors. eta vs tors. theta energy: -133.450
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: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1351.325376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.325376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.325376 (E_RNA)
where:
Base-Base interactions energy: -917.590
where: short stacking energy: -383.029
Base-Backbone interact. energy: -1.105
local terms energy: -432.630475
where:
bonds (distance) C4'-P energy: -86.386
bonds (distance) P-C4' energy: -82.465
flat angles C4'-P-C4' energy: -83.484
flat angles P-C4'-P energy: -67.411
tors. eta vs tors. theta energy: -112.885
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: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1303.157264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.157264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.157264 (E_RNA)
where:
Base-Base interactions energy: -893.429
where: short stacking energy: -372.434
Base-Backbone interact. energy: -2.194
local terms energy: -407.534187
where:
bonds (distance) C4'-P energy: -65.362
bonds (distance) P-C4' energy: -79.319
flat angles C4'-P-C4' energy: -91.085
flat angles P-C4'-P energy: -53.403
tors. eta vs tors. theta energy: -118.366
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: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1185.419540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.419540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.419540 (E_RNA)
where:
Base-Base interactions energy: -801.089
where: short stacking energy: -338.573
Base-Backbone interact. energy: -0.233
local terms energy: -384.096898
where:
bonds (distance) C4'-P energy: -72.624
bonds (distance) P-C4' energy: -69.538
flat angles C4'-P-C4' energy: -76.663
flat angles P-C4'-P energy: -61.513
tors. eta vs tors. theta energy: -103.759
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: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1127.299244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.299244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.299244 (E_RNA)
where:
Base-Base interactions energy: -759.018
where: short stacking energy: -331.085
Base-Backbone interact. energy: -2.345
local terms energy: -365.936404
where:
bonds (distance) C4'-P energy: -71.185
bonds (distance) P-C4' energy: -79.070
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -52.551
tors. eta vs tors. theta energy: -101.215
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: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1095.916155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.916155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.916155 (E_RNA)
where:
Base-Base interactions energy: -743.386
where: short stacking energy: -319.509
Base-Backbone interact. energy: 0.382
local terms energy: -352.912122
where:
bonds (distance) C4'-P energy: -58.221
bonds (distance) P-C4' energy: -75.791
flat angles C4'-P-C4' energy: -76.509
flat angles P-C4'-P energy: -49.612
tors. eta vs tors. theta energy: -92.779
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: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -856.218634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.218634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.218634 (E_RNA)
where:
Base-Base interactions energy: -544.025
where: short stacking energy: -229.232
Base-Backbone interact. energy: -0.488
local terms energy: -311.705426
where:
bonds (distance) C4'-P energy: -67.611
bonds (distance) P-C4' energy: -65.661
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -52.880
tors. eta vs tors. theta energy: -56.024
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: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -639.387387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.387387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.387387 (E_RNA)
where:
Base-Base interactions energy: -373.741
where: short stacking energy: -151.758
Base-Backbone interact. energy: -1.232
local terms energy: -264.413861
where:
bonds (distance) C4'-P energy: -60.425
bonds (distance) P-C4' energy: -64.401
flat angles C4'-P-C4' energy: -75.524
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -28.698
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: 487
Temperature: 1.300000
Total energy: -356.397223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.397223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.397223 (E_RNA)
where:
Base-Base interactions energy: -134.965
where: short stacking energy: -76.110
Base-Backbone interact. energy: 4.918
local terms energy: -226.349855
where:
bonds (distance) C4'-P energy: -72.508
bonds (distance) P-C4' energy: -70.335
flat angles C4'-P-C4' energy: -52.106
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: 5.340
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: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -309.341258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.341258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.341258 (E_RNA)
where:
Base-Base interactions energy: -103.721
where: short stacking energy: -88.350
Base-Backbone interact. energy: 4.584
local terms energy: -210.203636
where:
bonds (distance) C4'-P energy: -59.974
bonds (distance) P-C4' energy: -68.694
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: 13.540
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: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1401.541984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.541984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.541984 (E_RNA)
where:
Base-Base interactions energy: -957.411
where: short stacking energy: -401.130
Base-Backbone interact. energy: 1.150
local terms energy: -445.280966
where:
bonds (distance) C4'-P energy: -87.783
bonds (distance) P-C4' energy: -79.161
flat angles C4'-P-C4' energy: -93.690
flat angles P-C4'-P energy: -52.564
tors. eta vs tors. theta energy: -132.083
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: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1353.493701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.493701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.493701 (E_RNA)
where:
Base-Base interactions energy: -923.447
where: short stacking energy: -388.010
Base-Backbone interact. energy: -0.385
local terms energy: -429.661950
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -77.779
flat angles C4'-P-C4' energy: -89.062
flat angles P-C4'-P energy: -61.749
tors. eta vs tors. theta energy: -121.471
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1286.066089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.066089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.066089 (E_RNA)
where:
Base-Base interactions energy: -860.681
where: short stacking energy: -371.620
Base-Backbone interact. energy: -1.752
local terms energy: -423.633548
where:
bonds (distance) C4'-P energy: -76.438
bonds (distance) P-C4' energy: -79.916
flat angles C4'-P-C4' energy: -85.765
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -128.759
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: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1186.401925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.401925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.401925 (E_RNA)
where:
Base-Base interactions energy: -814.956
where: short stacking energy: -331.804
Base-Backbone interact. energy: -1.337
local terms energy: -370.108411
where:
bonds (distance) C4'-P energy: -69.941
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -76.391
flat angles P-C4'-P energy: -53.831
tors. eta vs tors. theta energy: -94.394
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: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1127.654503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.654503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.654503 (E_RNA)
where:
Base-Base interactions energy: -759.639
where: short stacking energy: -342.871
Base-Backbone interact. energy: -1.388
local terms energy: -366.628053
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -69.130
flat angles C4'-P-C4' energy: -73.972
flat angles P-C4'-P energy: -54.260
tors. eta vs tors. theta energy: -111.677
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: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1057.741560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.741560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.741560 (E_RNA)
where:
Base-Base interactions energy: -698.550
where: short stacking energy: -292.459
Base-Backbone interact. energy: -2.116
local terms energy: -357.075124
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -77.358
flat angles C4'-P-C4' energy: -82.193
flat angles P-C4'-P energy: -46.137
tors. eta vs tors. theta energy: -83.517
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: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -858.578145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.578145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.578145 (E_RNA)
where:
Base-Base interactions energy: -537.152
where: short stacking energy: -234.556
Base-Backbone interact. energy: -1.849
local terms energy: -319.577063
where:
bonds (distance) C4'-P energy: -74.520
bonds (distance) P-C4' energy: -78.437
flat angles C4'-P-C4' energy: -76.684
flat angles P-C4'-P energy: -43.656
tors. eta vs tors. theta energy: -46.281
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: 488
Temperature: 1.250000
Total energy: -689.254417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.254417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.254417 (E_RNA)
where:
Base-Base interactions energy: -420.164
where: short stacking energy: -198.104
Base-Backbone interact. energy: -0.846
local terms energy: -268.244852
where:
bonds (distance) C4'-P energy: -63.750
bonds (distance) P-C4' energy: -56.068
flat angles C4'-P-C4' energy: -69.253
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -41.592
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: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -346.996711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.996711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.996711 (E_RNA)
where:
Base-Base interactions energy: -118.709
where: short stacking energy: -114.532
Base-Backbone interact. energy: -2.104
local terms energy: -226.183141
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -64.603
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -39.353
tors. eta vs tors. theta energy: -3.799
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -319.289782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.289782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.289782 (E_RNA)
where:
Base-Base interactions energy: -106.337
where: short stacking energy: -95.837
Base-Backbone interact. energy: 3.962
local terms energy: -216.915453
where:
bonds (distance) C4'-P energy: -68.604
bonds (distance) P-C4' energy: -65.879
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: 14.904
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: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1384.940568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.940568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.940568 (E_RNA)
where:
Base-Base interactions energy: -953.667
where: short stacking energy: -394.166
Base-Backbone interact. energy: 0.218
local terms energy: -431.491844
where:
bonds (distance) C4'-P energy: -75.761
bonds (distance) P-C4' energy: -81.965
flat angles C4'-P-C4' energy: -95.185
flat angles P-C4'-P energy: -53.577
tors. eta vs tors. theta energy: -125.003
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: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1373.078285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.078285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.078285 (E_RNA)
where:
Base-Base interactions energy: -959.938
where: short stacking energy: -385.918
Base-Backbone interact. energy: -2.506
local terms energy: -410.634742
where:
bonds (distance) C4'-P energy: -66.501
bonds (distance) P-C4' energy: -77.340
flat angles C4'-P-C4' energy: -94.622
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -115.037
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: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1276.259197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.259197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.259197 (E_RNA)
where:
Base-Base interactions energy: -857.829
where: short stacking energy: -363.715
Base-Backbone interact. energy: 2.419
local terms energy: -420.849379
where:
bonds (distance) C4'-P energy: -81.410
bonds (distance) P-C4' energy: -77.882
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -54.678
tors. eta vs tors. theta energy: -120.493
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1204.785706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.785706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.785706 (E_RNA)
where:
Base-Base interactions energy: -842.355
where: short stacking energy: -359.633
Base-Backbone interact. energy: -0.876
local terms energy: -361.554174
where:
bonds (distance) C4'-P energy: -68.088
bonds (distance) P-C4' energy: -70.789
flat angles C4'-P-C4' energy: -75.709
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: -101.050
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: 489
Temperature: 1.100000
Total energy: -1089.040018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.040018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.040018 (E_RNA)
where:
Base-Base interactions energy: -722.426
where: short stacking energy: -305.719
Base-Backbone interact. energy: -3.799
local terms energy: -362.815003
where:
bonds (distance) C4'-P energy: -68.521
bonds (distance) P-C4' energy: -85.039
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -45.176
tors. eta vs tors. theta energy: -87.255
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: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1073.446787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.446787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.446787 (E_RNA)
where:
Base-Base interactions energy: -726.708
where: short stacking energy: -300.248
Base-Backbone interact. energy: 1.980
local terms energy: -348.717901
where:
bonds (distance) C4'-P energy: -75.034
bonds (distance) P-C4' energy: -77.002
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -92.856
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: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -869.594587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.594587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.594587 (E_RNA)
where:
Base-Base interactions energy: -556.235
where: short stacking energy: -254.936
Base-Backbone interact. energy: 2.070
local terms energy: -315.429253
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -70.359
flat angles C4'-P-C4' energy: -70.303
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -60.688
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: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -696.125311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.125311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.125311 (E_RNA)
where:
Base-Base interactions energy: -398.695
where: short stacking energy: -182.037
Base-Backbone interact. energy: 0.913
local terms energy: -298.343744
where:
bonds (distance) C4'-P energy: -78.696
bonds (distance) P-C4' energy: -79.941
flat angles C4'-P-C4' energy: -68.457
flat angles P-C4'-P energy: -41.966
tors. eta vs tors. theta energy: -29.284
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: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -338.141811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.141811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.141811 (E_RNA)
where:
Base-Base interactions energy: -138.818
where: short stacking energy: -97.913
Base-Backbone interact. energy: -1.227
local terms energy: -198.096864
where:
bonds (distance) C4'-P energy: -60.795
bonds (distance) P-C4' energy: -64.677
flat angles C4'-P-C4' energy: -49.778
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: 10.726
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: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -369.320751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.320751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.320751 (E_RNA)
where:
Base-Base interactions energy: -165.083
where: short stacking energy: -93.844
Base-Backbone interact. energy: -0.298
local terms energy: -203.939880
where:
bonds (distance) C4'-P energy: -62.648
bonds (distance) P-C4' energy: -56.366
flat angles C4'-P-C4' energy: -60.842
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: 14.573
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: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1399.181206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.181206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.181206 (E_RNA)
where:
Base-Base interactions energy: -964.614
where: short stacking energy: -390.554
Base-Backbone interact. energy: -0.764
local terms energy: -433.803452
where:
bonds (distance) C4'-P energy: -89.084
bonds (distance) P-C4' energy: -76.574
flat angles C4'-P-C4' energy: -85.446
flat angles P-C4'-P energy: -61.645
tors. eta vs tors. theta energy: -121.054
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: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1407.470975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.470975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.470975 (E_RNA)
where:
Base-Base interactions energy: -976.216
where: short stacking energy: -399.922
Base-Backbone interact. energy: -0.960
local terms energy: -430.295472
where:
bonds (distance) C4'-P energy: -74.436
bonds (distance) P-C4' energy: -81.265
flat angles C4'-P-C4' energy: -92.127
flat angles P-C4'-P energy: -52.705
tors. eta vs tors. theta energy: -129.762
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: 490
Temperature: 1.000000
Total energy: -1298.130742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.130742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.130742 (E_RNA)
where:
Base-Base interactions energy: -889.927
where: short stacking energy: -350.821
Base-Backbone interact. energy: -2.134
local terms energy: -406.068980
where:
bonds (distance) C4'-P energy: -81.347
bonds (distance) P-C4' energy: -81.454
flat angles C4'-P-C4' energy: -88.804
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -108.837
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: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1206.437467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.437467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.437467 (E_RNA)
where:
Base-Base interactions energy: -811.875
where: short stacking energy: -335.940
Base-Backbone interact. energy: 0.259
local terms energy: -394.821463
where:
bonds (distance) C4'-P energy: -83.795
bonds (distance) P-C4' energy: -69.578
flat angles C4'-P-C4' energy: -80.102
flat angles P-C4'-P energy: -56.458
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: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1093.088896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.088896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.088896 (E_RNA)
where:
Base-Base interactions energy: -741.121
where: short stacking energy: -315.917
Base-Backbone interact. energy: -2.260
local terms energy: -349.708242
where:
bonds (distance) C4'-P energy: -74.280
bonds (distance) P-C4' energy: -69.686
flat angles C4'-P-C4' energy: -79.255
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -94.481
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: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1077.008486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.008486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.008486 (E_RNA)
where:
Base-Base interactions energy: -709.498
where: short stacking energy: -304.800
Base-Backbone interact. energy: 2.470
local terms energy: -369.980748
where:
bonds (distance) C4'-P energy: -70.085
bonds (distance) P-C4' energy: -74.053
flat angles C4'-P-C4' energy: -92.110
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -93.491
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: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -811.008566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.008566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.008566 (E_RNA)
where:
Base-Base interactions energy: -528.701
where: short stacking energy: -233.317
Base-Backbone interact. energy: -1.524
local terms energy: -280.784162
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -61.010
flat angles C4'-P-C4' energy: -67.845
flat angles P-C4'-P energy: -39.952
tors. eta vs tors. theta energy: -48.945
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: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -704.207833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.207833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.207833 (E_RNA)
where:
Base-Base interactions energy: -408.652
where: short stacking energy: -202.749
Base-Backbone interact. energy: -0.406
local terms energy: -295.149601
where:
bonds (distance) C4'-P energy: -71.488
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -71.820
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -43.123
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: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -370.013937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.013937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.013937 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -97.075
Base-Backbone interact. energy: -1.349
local terms energy: -244.556895
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -78.487
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -5.975
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: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -329.647563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.647563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.647563 (E_RNA)
where:
Base-Base interactions energy: -108.468
where: short stacking energy: -89.689
Base-Backbone interact. energy: 0.184
local terms energy: -221.363229
where:
bonds (distance) C4'-P energy: -68.298
bonds (distance) P-C4' energy: -79.749
flat angles C4'-P-C4' energy: -54.865
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: 10.578
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: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1365.845807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.845807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.845807 (E_RNA)
where:
Base-Base interactions energy: -946.568
where: short stacking energy: -386.083
Base-Backbone interact. energy: -1.322
local terms energy: -417.955050
where:
bonds (distance) C4'-P energy: -76.688
bonds (distance) P-C4' energy: -73.774
flat angles C4'-P-C4' energy: -83.329
flat angles P-C4'-P energy: -64.024
tors. eta vs tors. theta energy: -120.140
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: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1356.706298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.706298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.706298 (E_RNA)
where:
Base-Base interactions energy: -938.049
where: short stacking energy: -388.843
Base-Backbone interact. energy: -0.234
local terms energy: -418.423248
where:
bonds (distance) C4'-P energy: -72.120
bonds (distance) P-C4' energy: -74.786
flat angles C4'-P-C4' energy: -85.713
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -130.810
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: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1283.456137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.456137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.456137 (E_RNA)
where:
Base-Base interactions energy: -869.078
where: short stacking energy: -353.565
Base-Backbone interact. energy: -1.552
local terms energy: -412.826443
where:
bonds (distance) C4'-P energy: -77.361
bonds (distance) P-C4' energy: -80.041
flat angles C4'-P-C4' energy: -83.075
flat angles P-C4'-P energy: -60.773
tors. eta vs tors. theta energy: -111.577
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: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1212.086136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.086136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.086136 (E_RNA)
where:
Base-Base interactions energy: -821.264
where: short stacking energy: -330.318
Base-Backbone interact. energy: -1.200
local terms energy: -389.622209
where:
bonds (distance) C4'-P energy: -79.691
bonds (distance) P-C4' energy: -78.749
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -51.501
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: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1109.834414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.834414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.834414 (E_RNA)
where:
Base-Base interactions energy: -747.083
where: short stacking energy: -332.614
Base-Backbone interact. energy: 1.241
local terms energy: -363.992889
where:
bonds (distance) C4'-P energy: -72.708
bonds (distance) P-C4' energy: -65.981
flat angles C4'-P-C4' energy: -78.761
flat angles P-C4'-P energy: -49.906
tors. eta vs tors. theta energy: -96.636
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: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1073.518714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.518714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.518714 (E_RNA)
where:
Base-Base interactions energy: -730.570
where: short stacking energy: -306.564
Base-Backbone interact. energy: 1.662
local terms energy: -344.610072
where:
bonds (distance) C4'-P energy: -71.551
bonds (distance) P-C4' energy: -61.927
flat angles C4'-P-C4' energy: -78.412
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -83.683
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -832.625682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.625682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.625682 (E_RNA)
where:
Base-Base interactions energy: -524.408
where: short stacking energy: -238.182
Base-Backbone interact. energy: -0.681
local terms energy: -307.536272
where:
bonds (distance) C4'-P energy: -58.395
bonds (distance) P-C4' energy: -67.838
flat angles C4'-P-C4' energy: -68.197
flat angles P-C4'-P energy: -59.320
tors. eta vs tors. theta energy: -53.787
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: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -731.041553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.041553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.041553 (E_RNA)
where:
Base-Base interactions energy: -441.577
where: short stacking energy: -209.845
Base-Backbone interact. energy: -1.299
local terms energy: -288.165480
where:
bonds (distance) C4'-P energy: -61.823
bonds (distance) P-C4' energy: -63.878
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -53.356
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -348.070330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.070330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.070330 (E_RNA)
where:
Base-Base interactions energy: -146.384
where: short stacking energy: -100.142
Base-Backbone interact. energy: 3.002
local terms energy: -204.688802
where:
bonds (distance) C4'-P energy: -54.483
bonds (distance) P-C4' energy: -71.606
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -43.295
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: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -362.825680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.825680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.825680 (E_RNA)
where:
Base-Base interactions energy: -149.108
where: short stacking energy: -103.279
Base-Backbone interact. energy: -2.844
local terms energy: -210.872887
where:
bonds (distance) C4'-P energy: -67.098
bonds (distance) P-C4' energy: -65.112
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -1.927
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: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1402.085025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.085025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.085025 (E_RNA)
where:
Base-Base interactions energy: -956.481
where: short stacking energy: -395.227
Base-Backbone interact. energy: -2.540
local terms energy: -443.064060
where:
bonds (distance) C4'-P energy: -75.919
bonds (distance) P-C4' energy: -79.676
flat angles C4'-P-C4' energy: -89.241
flat angles P-C4'-P energy: -68.910
tors. eta vs tors. theta energy: -129.319
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: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1355.174361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.174361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.174361 (E_RNA)
where:
Base-Base interactions energy: -931.647
where: short stacking energy: -386.046
Base-Backbone interact. energy: -2.571
local terms energy: -420.955927
where:
bonds (distance) C4'-P energy: -81.155
bonds (distance) P-C4' energy: -79.877
flat angles C4'-P-C4' energy: -79.132
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -117.272
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: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1314.565822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.565822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.565822 (E_RNA)
where:
Base-Base interactions energy: -910.091
where: short stacking energy: -380.644
Base-Backbone interact. energy: -0.122
local terms energy: -404.352233
where:
bonds (distance) C4'-P energy: -79.063
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -86.442
flat angles P-C4'-P energy: -55.208
tors. eta vs tors. theta energy: -121.210
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: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1191.844532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.844532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.844532 (E_RNA)
where:
Base-Base interactions energy: -806.883
where: short stacking energy: -327.472
Base-Backbone interact. energy: -1.389
local terms energy: -383.572708
where:
bonds (distance) C4'-P energy: -76.128
bonds (distance) P-C4' energy: -65.837
flat angles C4'-P-C4' energy: -83.101
flat angles P-C4'-P energy: -58.763
tors. eta vs tors. theta energy: -99.744
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: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1097.579599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.579599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.579599 (E_RNA)
where:
Base-Base interactions energy: -744.267
where: short stacking energy: -282.484
Base-Backbone interact. energy: 0.139
local terms energy: -353.451684
where:
bonds (distance) C4'-P energy: -74.904
bonds (distance) P-C4' energy: -68.893
flat angles C4'-P-C4' energy: -74.112
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -92.449
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: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1148.098484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.098484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.098484 (E_RNA)
where:
Base-Base interactions energy: -763.419
where: short stacking energy: -328.126
Base-Backbone interact. energy: 0.324
local terms energy: -385.003429
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -76.493
flat angles C4'-P-C4' energy: -85.157
flat angles P-C4'-P energy: -52.483
tors. eta vs tors. theta energy: -100.068
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: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -755.117504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.117504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.117504 (E_RNA)
where:
Base-Base interactions energy: -479.546
where: short stacking energy: -233.690
Base-Backbone interact. energy: 0.879
local terms energy: -276.449680
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -57.354
flat angles C4'-P-C4' energy: -74.178
flat angles P-C4'-P energy: -37.510
tors. eta vs tors. theta energy: -55.930
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: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -813.763703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.763703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.763703 (E_RNA)
where:
Base-Base interactions energy: -532.877
where: short stacking energy: -223.777
Base-Backbone interact. energy: 1.646
local terms energy: -282.532940
where:
bonds (distance) C4'-P energy: -55.107
bonds (distance) P-C4' energy: -71.313
flat angles C4'-P-C4' energy: -68.485
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -41.542
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: 9, replica: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -392.163390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.163390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.163390 (E_RNA)
where:
Base-Base interactions energy: -169.124
where: short stacking energy: -73.885
Base-Backbone interact. energy: -2.613
local terms energy: -220.426893
where:
bonds (distance) C4'-P energy: -69.616
bonds (distance) P-C4' energy: -65.273
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: 15.890
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: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -330.911246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.911246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.911246 (E_RNA)
where:
Base-Base interactions energy: -114.676
where: short stacking energy: -93.902
Base-Backbone interact. energy: -2.025
local terms energy: -214.209455
where:
bonds (distance) C4'-P energy: -69.387
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -61.160
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: 18.816
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: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1385.111659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.111659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.111659 (E_RNA)
where:
Base-Base interactions energy: -953.227
where: short stacking energy: -372.881
Base-Backbone interact. energy: -0.290
local terms energy: -431.594778
where:
bonds (distance) C4'-P energy: -80.922
bonds (distance) P-C4' energy: -87.063
flat angles C4'-P-C4' energy: -83.899
flat angles P-C4'-P energy: -58.379
tors. eta vs tors. theta energy: -121.331
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1308.030004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.030004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.030004 (E_RNA)
where:
Base-Base interactions energy: -894.833
where: short stacking energy: -376.787
Base-Backbone interact. energy: -0.819
local terms energy: -412.377855
where:
bonds (distance) C4'-P energy: -81.537
bonds (distance) P-C4' energy: -71.661
flat angles C4'-P-C4' energy: -85.097
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -116.632
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: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1313.663672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.663672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.663672 (E_RNA)
where:
Base-Base interactions energy: -907.840
where: short stacking energy: -381.878
Base-Backbone interact. energy: -0.895
local terms energy: -404.928426
where:
bonds (distance) C4'-P energy: -72.394
bonds (distance) P-C4' energy: -72.982
flat angles C4'-P-C4' energy: -85.497
flat angles P-C4'-P energy: -61.633
tors. eta vs tors. theta energy: -112.422
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: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1187.105400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.105400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.105400 (E_RNA)
where:
Base-Base interactions energy: -807.258
where: short stacking energy: -330.893
Base-Backbone interact. energy: -2.111
local terms energy: -377.736410
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -62.925
flat angles C4'-P-C4' energy: -79.631
flat angles P-C4'-P energy: -66.443
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: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1126.257339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.257339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.257339 (E_RNA)
where:
Base-Base interactions energy: -759.075
where: short stacking energy: -314.520
Base-Backbone interact. energy: -1.443
local terms energy: -365.739845
where:
bonds (distance) C4'-P energy: -75.557
bonds (distance) P-C4' energy: -74.010
flat angles C4'-P-C4' energy: -76.358
flat angles P-C4'-P energy: -55.346
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: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1140.875274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.875274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.875274 (E_RNA)
where:
Base-Base interactions energy: -763.532
where: short stacking energy: -325.267
Base-Backbone interact. energy: 3.896
local terms energy: -381.239844
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -69.122
flat angles C4'-P-C4' energy: -78.349
flat angles P-C4'-P energy: -54.993
tors. eta vs tors. theta energy: -113.445
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: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -727.081497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.081497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.081497 (E_RNA)
where:
Base-Base interactions energy: -444.780
where: short stacking energy: -199.896
Base-Backbone interact. energy: 0.347
local terms energy: -282.648392
where:
bonds (distance) C4'-P energy: -67.542
bonds (distance) P-C4' energy: -71.937
flat angles C4'-P-C4' energy: -67.663
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -30.304
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: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -832.588998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.588998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.588998 (E_RNA)
where:
Base-Base interactions energy: -524.337
where: short stacking energy: -218.820
Base-Backbone interact. energy: -0.904
local terms energy: -307.348736
where:
bonds (distance) C4'-P energy: -67.922
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -39.874
tors. eta vs tors. theta energy: -61.408
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: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -338.102044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.102044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.102044 (E_RNA)
where:
Base-Base interactions energy: -130.269
where: short stacking energy: -79.466
Base-Backbone interact. energy: -0.792
local terms energy: -207.040612
where:
bonds (distance) C4'-P energy: -60.033
bonds (distance) P-C4' energy: -76.486
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: 15.336
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: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -351.196204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.196204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.196204 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -98.602
Base-Backbone interact. energy: -1.660
local terms energy: -228.741656
where:
bonds (distance) C4'-P energy: -72.916
bonds (distance) P-C4' energy: -61.395
flat angles C4'-P-C4' energy: -68.916
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: 3.638
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: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1395.517711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.517711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.517711 (E_RNA)
where:
Base-Base interactions energy: -949.522
where: short stacking energy: -389.373
Base-Backbone interact. energy: -1.177
local terms energy: -444.818355
where:
bonds (distance) C4'-P energy: -79.092
bonds (distance) P-C4' energy: -84.566
flat angles C4'-P-C4' energy: -95.498
flat angles P-C4'-P energy: -55.137
tors. eta vs tors. theta energy: -130.526
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: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1316.168941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.168941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.168941 (E_RNA)
where:
Base-Base interactions energy: -894.102
where: short stacking energy: -381.077
Base-Backbone interact. energy: -2.538
local terms energy: -419.529262
where:
bonds (distance) C4'-P energy: -75.357
bonds (distance) P-C4' energy: -72.359
flat angles C4'-P-C4' energy: -95.830
flat angles P-C4'-P energy: -54.435
tors. eta vs tors. theta energy: -121.548
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: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1317.576447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.576447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.576447 (E_RNA)
where:
Base-Base interactions energy: -921.723
where: short stacking energy: -370.348
Base-Backbone interact. energy: -0.362
local terms energy: -395.491384
where:
bonds (distance) C4'-P energy: -71.946
bonds (distance) P-C4' energy: -75.598
flat angles C4'-P-C4' energy: -89.107
flat angles P-C4'-P energy: -53.863
tors. eta vs tors. theta energy: -104.977
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: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1178.970802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.970802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.970802 (E_RNA)
where:
Base-Base interactions energy: -823.952
where: short stacking energy: -347.948
Base-Backbone interact. energy: 3.927
local terms energy: -358.945866
where:
bonds (distance) C4'-P energy: -56.509
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -76.546
flat angles P-C4'-P energy: -65.378
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: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1170.357372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.357372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.357372 (E_RNA)
where:
Base-Base interactions energy: -798.929
where: short stacking energy: -328.746
Base-Backbone interact. energy: -0.340
local terms energy: -371.088211
where:
bonds (distance) C4'-P energy: -63.857
bonds (distance) P-C4' energy: -84.389
flat angles C4'-P-C4' energy: -77.087
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -103.226
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: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1097.328005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.328005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.328005 (E_RNA)
where:
Base-Base interactions energy: -737.880
where: short stacking energy: -328.376
Base-Backbone interact. energy: -2.523
local terms energy: -356.925352
where:
bonds (distance) C4'-P energy: -61.430
bonds (distance) P-C4' energy: -72.914
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -60.464
tors. eta vs tors. theta energy: -89.887
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: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -743.101929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.101929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.101929 (E_RNA)
where:
Base-Base interactions energy: -461.457
where: short stacking energy: -196.547
Base-Backbone interact. energy: -0.644
local terms energy: -281.000768
where:
bonds (distance) C4'-P energy: -59.176
bonds (distance) P-C4' energy: -69.603
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -51.628
tors. eta vs tors. theta energy: -36.216
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: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -718.639258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.639258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.639258 (E_RNA)
where:
Base-Base interactions energy: -452.592
where: short stacking energy: -199.999
Base-Backbone interact. energy: -0.255
local terms energy: -265.792212
where:
bonds (distance) C4'-P energy: -63.183
bonds (distance) P-C4' energy: -66.462
flat angles C4'-P-C4' energy: -69.117
flat angles P-C4'-P energy: -27.974
tors. eta vs tors. theta energy: -39.056
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -406.091322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.091322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.091322 (E_RNA)
where:
Base-Base interactions energy: -168.467
where: short stacking energy: -115.151
Base-Backbone interact. energy: 2.211
local terms energy: -239.834796
where:
bonds (distance) C4'-P energy: -56.658
bonds (distance) P-C4' energy: -79.175
flat angles C4'-P-C4' energy: -66.106
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -0.003
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: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -328.010041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.010041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.010041 (E_RNA)
where:
Base-Base interactions energy: -106.343
where: short stacking energy: -93.055
Base-Backbone interact. energy: -3.020
local terms energy: -218.646852
where:
bonds (distance) C4'-P energy: -64.073
bonds (distance) P-C4' energy: -69.353
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: 3.527
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: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1401.963262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.963262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.963262 (E_RNA)
where:
Base-Base interactions energy: -953.074
where: short stacking energy: -388.742
Base-Backbone interact. energy: 2.102
local terms energy: -450.991637
where:
bonds (distance) C4'-P energy: -78.225
bonds (distance) P-C4' energy: -92.529
flat angles C4'-P-C4' energy: -95.052
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -124.769
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: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1339.821042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.821042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.821042 (E_RNA)
where:
Base-Base interactions energy: -921.788
where: short stacking energy: -354.486
Base-Backbone interact. energy: -1.552
local terms energy: -416.481550
where:
bonds (distance) C4'-P energy: -76.043
bonds (distance) P-C4' energy: -70.564
flat angles C4'-P-C4' energy: -89.656
flat angles P-C4'-P energy: -70.753
tors. eta vs tors. theta energy: -109.465
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: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1300.127096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.127096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.127096 (E_RNA)
where:
Base-Base interactions energy: -880.491
where: short stacking energy: -378.007
Base-Backbone interact. energy: -1.697
local terms energy: -417.938182
where:
bonds (distance) C4'-P energy: -65.191
bonds (distance) P-C4' energy: -86.179
flat angles C4'-P-C4' energy: -94.790
flat angles P-C4'-P energy: -58.478
tors. eta vs tors. theta energy: -113.300
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: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1201.153817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.153817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.153817 (E_RNA)
where:
Base-Base interactions energy: -803.755
where: short stacking energy: -342.534
Base-Backbone interact. energy: -1.824
local terms energy: -395.574233
where:
bonds (distance) C4'-P energy: -71.750
bonds (distance) P-C4' energy: -77.503
flat angles C4'-P-C4' energy: -82.910
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: -104.490
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: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1181.525704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.525704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.525704 (E_RNA)
where:
Base-Base interactions energy: -810.947
where: short stacking energy: -319.297
Base-Backbone interact. energy: -1.662
local terms energy: -368.916013
where:
bonds (distance) C4'-P energy: -83.779
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -83.776
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -91.741
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: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1060.223616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.223616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.223616 (E_RNA)
where:
Base-Base interactions energy: -703.238
where: short stacking energy: -277.043
Base-Backbone interact. energy: 3.404
local terms energy: -360.389422
where:
bonds (distance) C4'-P energy: -81.309
bonds (distance) P-C4' energy: -66.765
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -52.565
tors. eta vs tors. theta energy: -86.056
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: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -784.199129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.199129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.199129 (E_RNA)
where:
Base-Base interactions energy: -485.851
where: short stacking energy: -217.155
Base-Backbone interact. energy: -0.654
local terms energy: -297.693778
where:
bonds (distance) C4'-P energy: -70.394
bonds (distance) P-C4' energy: -82.250
flat angles C4'-P-C4' energy: -65.673
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -45.600
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: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -718.232024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.232024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.232024 (E_RNA)
where:
Base-Base interactions energy: -425.248
where: short stacking energy: -194.475
Base-Backbone interact. energy: 5.636
local terms energy: -298.619790
where:
bonds (distance) C4'-P energy: -69.237
bonds (distance) P-C4' energy: -61.977
flat angles C4'-P-C4' energy: -76.597
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -44.446
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: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -390.646493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.646493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.646493 (E_RNA)
where:
Base-Base interactions energy: -168.299
where: short stacking energy: -101.207
Base-Backbone interact. energy: 0.741
local terms energy: -223.088117
where:
bonds (distance) C4'-P energy: -72.298
bonds (distance) P-C4' energy: -62.162
flat angles C4'-P-C4' energy: -45.653
flat angles P-C4'-P energy: -38.814
tors. eta vs tors. theta energy: -4.161
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: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -339.718279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.718279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.718279 (E_RNA)
where:
Base-Base interactions energy: -134.871
where: short stacking energy: -95.757
Base-Backbone interact. energy: -1.182
local terms energy: -203.666124
where:
bonds (distance) C4'-P energy: -59.240
bonds (distance) P-C4' energy: -73.194
flat angles C4'-P-C4' energy: -35.386
flat angles P-C4'-P energy: -39.587
tors. eta vs tors. theta energy: 3.741
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: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1407.193347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.193347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.193347 (E_RNA)
where:
Base-Base interactions energy: -976.570
where: short stacking energy: -393.698
Base-Backbone interact. energy: 0.194
local terms energy: -430.816901
where:
bonds (distance) C4'-P energy: -87.172
bonds (distance) P-C4' energy: -82.813
flat angles C4'-P-C4' energy: -86.466
flat angles P-C4'-P energy: -55.955
tors. eta vs tors. theta energy: -118.410
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: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1341.909161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.909161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.909161 (E_RNA)
where:
Base-Base interactions energy: -925.593
where: short stacking energy: -389.885
Base-Backbone interact. energy: -3.462
local terms energy: -412.854200
where:
bonds (distance) C4'-P energy: -66.729
bonds (distance) P-C4' energy: -73.913
flat angles C4'-P-C4' energy: -94.398
flat angles P-C4'-P energy: -59.057
tors. eta vs tors. theta energy: -118.756
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: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1265.360997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.360997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.360997 (E_RNA)
where:
Base-Base interactions energy: -885.744
where: short stacking energy: -380.924
Base-Backbone interact. energy: -1.360
local terms energy: -378.257035
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -73.916
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -60.430
tors. eta vs tors. theta energy: -116.134
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: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1222.899289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.899289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.899289 (E_RNA)
where:
Base-Base interactions energy: -818.860
where: short stacking energy: -351.935
Base-Backbone interact. energy: -0.841
local terms energy: -403.198814
where:
bonds (distance) C4'-P energy: -77.301
bonds (distance) P-C4' energy: -74.621
flat angles C4'-P-C4' energy: -84.379
flat angles P-C4'-P energy: -58.936
tors. eta vs tors. theta energy: -107.961
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: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1107.669920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.669920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.669920 (E_RNA)
where:
Base-Base interactions energy: -752.228
where: short stacking energy: -316.202
Base-Backbone interact. energy: -2.895
local terms energy: -352.546986
where:
bonds (distance) C4'-P energy: -67.848
bonds (distance) P-C4' energy: -71.836
flat angles C4'-P-C4' energy: -76.020
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -92.262
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: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1133.255774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.255774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.255774 (E_RNA)
where:
Base-Base interactions energy: -780.665
where: short stacking energy: -315.578
Base-Backbone interact. energy: -1.443
local terms energy: -351.147657
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -68.353
flat angles C4'-P-C4' energy: -87.249
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -85.372
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: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -751.564213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.564213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.564213 (E_RNA)
where:
Base-Base interactions energy: -475.180
where: short stacking energy: -227.932
Base-Backbone interact. energy: -2.448
local terms energy: -273.936719
where:
bonds (distance) C4'-P energy: -59.604
bonds (distance) P-C4' energy: -66.909
flat angles C4'-P-C4' energy: -62.471
flat angles P-C4'-P energy: -37.937
tors. eta vs tors. theta energy: -47.015
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: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -728.779819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.779819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.779819 (E_RNA)
where:
Base-Base interactions energy: -450.263
where: short stacking energy: -224.263
Base-Backbone interact. energy: -1.729
local terms energy: -276.787911
where:
bonds (distance) C4'-P energy: -59.727
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -67.226
flat angles P-C4'-P energy: -42.411
tors. eta vs tors. theta energy: -36.585
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: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -328.501780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.501780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.501780 (E_RNA)
where:
Base-Base interactions energy: -104.144
where: short stacking energy: -85.482
Base-Backbone interact. energy: 0.457
local terms energy: -224.814846
where:
bonds (distance) C4'-P energy: -76.015
bonds (distance) P-C4' energy: -73.290
flat angles C4'-P-C4' energy: -67.003
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: 14.712
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: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -316.293464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.293464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.293464 (E_RNA)
where:
Base-Base interactions energy: -121.081
where: short stacking energy: -91.832
Base-Backbone interact. energy: 3.659
local terms energy: -198.871376
where:
bonds (distance) C4'-P energy: -64.490
bonds (distance) P-C4' energy: -68.482
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: 6.503
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: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1427.096331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.096331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.096331 (E_RNA)
where:
Base-Base interactions energy: -980.284
where: short stacking energy: -401.596
Base-Backbone interact. energy: -0.738
local terms energy: -446.074498
where:
bonds (distance) C4'-P energy: -85.833
bonds (distance) P-C4' energy: -74.780
flat angles C4'-P-C4' energy: -99.666
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: -130.588
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: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1358.680705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.680705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.680705 (E_RNA)
where:
Base-Base interactions energy: -935.222
where: short stacking energy: -390.353
Base-Backbone interact. energy: -0.900
local terms energy: -422.558688
where:
bonds (distance) C4'-P energy: -79.010
bonds (distance) P-C4' energy: -75.517
flat angles C4'-P-C4' energy: -97.433
flat angles P-C4'-P energy: -51.385
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: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1285.142077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.142077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.142077 (E_RNA)
where:
Base-Base interactions energy: -874.740
where: short stacking energy: -377.738
Base-Backbone interact. energy: 1.532
local terms energy: -411.934063
where:
bonds (distance) C4'-P energy: -69.168
bonds (distance) P-C4' energy: -79.940
flat angles C4'-P-C4' energy: -87.993
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -117.106
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: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1230.715689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.715689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.715689 (E_RNA)
where:
Base-Base interactions energy: -821.493
where: short stacking energy: -367.155
Base-Backbone interact. energy: -1.105
local terms energy: -408.117100
where:
bonds (distance) C4'-P energy: -77.910
bonds (distance) P-C4' energy: -72.665
flat angles C4'-P-C4' energy: -87.310
flat angles P-C4'-P energy: -58.925
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: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1129.668254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.668254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.668254 (E_RNA)
where:
Base-Base interactions energy: -784.657
where: short stacking energy: -315.952
Base-Backbone interact. energy: -1.535
local terms energy: -343.476119
where:
bonds (distance) C4'-P energy: -66.002
bonds (distance) P-C4' energy: -59.954
flat angles C4'-P-C4' energy: -80.914
flat angles P-C4'-P energy: -53.857
tors. eta vs tors. theta energy: -82.749
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: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1156.424900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.424900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.424900 (E_RNA)
where:
Base-Base interactions energy: -783.538
where: short stacking energy: -315.470
Base-Backbone interact. energy: 0.665
local terms energy: -373.551879
where:
bonds (distance) C4'-P energy: -73.594
bonds (distance) P-C4' energy: -68.501
flat angles C4'-P-C4' energy: -83.388
flat angles P-C4'-P energy: -53.519
tors. eta vs tors. theta energy: -94.549
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: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -731.481453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.481453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.481453 (E_RNA)
where:
Base-Base interactions energy: -454.000
where: short stacking energy: -207.455
Base-Backbone interact. energy: -3.026
local terms energy: -274.455536
where:
bonds (distance) C4'-P energy: -64.274
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -78.541
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -28.948
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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -704.408915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.408915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.408915 (E_RNA)
where:
Base-Base interactions energy: -426.275
where: short stacking energy: -192.079
Base-Backbone interact. energy: -2.356
local terms energy: -275.777724
where:
bonds (distance) C4'-P energy: -67.037
bonds (distance) P-C4' energy: -61.469
flat angles C4'-P-C4' energy: -69.273
flat angles P-C4'-P energy: -47.065
tors. eta vs tors. theta energy: -30.934
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: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -342.318817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.318817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.318817 (E_RNA)
where:
Base-Base interactions energy: -132.802
where: short stacking energy: -121.004
Base-Backbone interact. energy: 3.850
local terms energy: -213.366523
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -57.046
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -39.033
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)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -301.960505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.960505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.960505 (E_RNA)
where:
Base-Base interactions energy: -94.055
where: short stacking energy: -88.521
Base-Backbone interact. energy: -2.595
local terms energy: -205.309953
where:
bonds (distance) C4'-P energy: -64.882
bonds (distance) P-C4' energy: -73.816
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: 17.561
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: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1400.663086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.663086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.663086 (E_RNA)
where:
Base-Base interactions energy: -956.267
where: short stacking energy: -378.570
Base-Backbone interact. energy: -0.661
local terms energy: -443.734579
where:
bonds (distance) C4'-P energy: -68.005
bonds (distance) P-C4' energy: -87.402
flat angles C4'-P-C4' energy: -98.366
flat angles P-C4'-P energy: -61.896
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: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1356.201092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.201092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.201092 (E_RNA)
where:
Base-Base interactions energy: -944.240
where: short stacking energy: -399.742
Base-Backbone interact. energy: -1.646
local terms energy: -410.314992
where:
bonds (distance) C4'-P energy: -72.051
bonds (distance) P-C4' energy: -69.594
flat angles C4'-P-C4' energy: -87.609
flat angles P-C4'-P energy: -58.106
tors. eta vs tors. theta energy: -122.954
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: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1285.095885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.095885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.095885 (E_RNA)
where:
Base-Base interactions energy: -865.456
where: short stacking energy: -359.440
Base-Backbone interact. energy: -2.747
local terms energy: -416.893225
where:
bonds (distance) C4'-P energy: -78.824
bonds (distance) P-C4' energy: -85.420
flat angles C4'-P-C4' energy: -87.922
flat angles P-C4'-P energy: -57.341
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: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1206.895717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.895717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.895717 (E_RNA)
where:
Base-Base interactions energy: -817.165
where: short stacking energy: -352.004
Base-Backbone interact. energy: -1.216
local terms energy: -388.514432
where:
bonds (distance) C4'-P energy: -73.428
bonds (distance) P-C4' energy: -77.714
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -110.842
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: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1178.266562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.266562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.266562 (E_RNA)
where:
Base-Base interactions energy: -807.240
where: short stacking energy: -336.791
Base-Backbone interact. energy: 0.505
local terms energy: -371.531570
where:
bonds (distance) C4'-P energy: -69.754
bonds (distance) P-C4' energy: -63.177
flat angles C4'-P-C4' energy: -82.245
flat angles P-C4'-P energy: -58.037
tors. eta vs tors. theta energy: -98.319
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: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1155.895747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.895747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.895747 (E_RNA)
where:
Base-Base interactions energy: -797.191
where: short stacking energy: -339.244
Base-Backbone interact. energy: -1.585
local terms energy: -357.119386
where:
bonds (distance) C4'-P energy: -66.366
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -82.287
flat angles P-C4'-P energy: -47.942
tors. eta vs tors. theta energy: -92.437
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: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -769.422724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.422724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.422724 (E_RNA)
where:
Base-Base interactions energy: -466.146
where: short stacking energy: -220.254
Base-Backbone interact. energy: -1.647
local terms energy: -301.629243
where:
bonds (distance) C4'-P energy: -68.200
bonds (distance) P-C4' energy: -73.718
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -47.458
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: 8, replica: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -727.984491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.984491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.984491 (E_RNA)
where:
Base-Base interactions energy: -425.659
where: short stacking energy: -193.117
Base-Backbone interact. energy: -2.008
local terms energy: -300.317323
where:
bonds (distance) C4'-P energy: -55.496
bonds (distance) P-C4' energy: -71.993
flat angles C4'-P-C4' energy: -74.988
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -51.452
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: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -353.608598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.608598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.608598 (E_RNA)
where:
Base-Base interactions energy: -124.198
where: short stacking energy: -108.524
Base-Backbone interact. energy: -0.138
local terms energy: -229.272690
where:
bonds (distance) C4'-P energy: -54.716
bonds (distance) P-C4' energy: -71.480
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -44.876
tors. eta vs tors. theta energy: 0.122
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: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -307.703678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.703678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.703678 (E_RNA)
where:
Base-Base interactions energy: -114.654
where: short stacking energy: -81.164
Base-Backbone interact. energy: -0.740
local terms energy: -192.309634
where:
bonds (distance) C4'-P energy: -58.180
bonds (distance) P-C4' energy: -61.023
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -22.028
tors. eta vs tors. theta energy: 13.801
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: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1402.179150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.179150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.179150 (E_RNA)
where:
Base-Base interactions energy: -973.550
where: short stacking energy: -408.319
Base-Backbone interact. energy: -0.109
local terms energy: -428.519807
where:
bonds (distance) C4'-P energy: -77.930
bonds (distance) P-C4' energy: -85.245
flat angles C4'-P-C4' energy: -89.068
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -127.103
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: 2, replica: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1359.684992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.684992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.684992 (E_RNA)
where:
Base-Base interactions energy: -929.867
where: short stacking energy: -375.302
Base-Backbone interact. energy: -1.837
local terms energy: -427.980787
where:
bonds (distance) C4'-P energy: -83.300
bonds (distance) P-C4' energy: -81.996
flat angles C4'-P-C4' energy: -84.710
flat angles P-C4'-P energy: -59.607
tors. eta vs tors. theta energy: -118.368
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: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1264.674768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.674768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.674768 (E_RNA)
where:
Base-Base interactions energy: -868.463
where: short stacking energy: -374.336
Base-Backbone interact. energy: 0.068
local terms energy: -396.279117
where:
bonds (distance) C4'-P energy: -65.854
bonds (distance) P-C4' energy: -70.663
flat angles C4'-P-C4' energy: -86.240
flat angles P-C4'-P energy: -54.754
tors. eta vs tors. theta energy: -118.768
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: 499
Temperature: 1.050000
Total energy: -1237.097426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.097426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.097426 (E_RNA)
where:
Base-Base interactions energy: -824.350
where: short stacking energy: -354.707
Base-Backbone interact. energy: -4.618
local terms energy: -408.129738
where:
bonds (distance) C4'-P energy: -75.243
bonds (distance) P-C4' energy: -82.857
flat angles C4'-P-C4' energy: -85.892
flat angles P-C4'-P energy: -55.103
tors. eta vs tors. theta energy: -109.034
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: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1164.281027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.281027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.281027 (E_RNA)
where:
Base-Base interactions energy: -778.152
where: short stacking energy: -337.423
Base-Backbone interact. energy: -2.772
local terms energy: -383.356813
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -67.844
flat angles C4'-P-C4' energy: -78.526
flat angles P-C4'-P energy: -57.006
tors. eta vs tors. theta energy: -106.604
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: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1107.122243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.122243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.122243 (E_RNA)
where:
Base-Base interactions energy: -756.265
where: short stacking energy: -310.088
Base-Backbone interact. energy: 2.120
local terms energy: -352.977830
where:
bonds (distance) C4'-P energy: -65.924
bonds (distance) P-C4' energy: -71.776
flat angles C4'-P-C4' energy: -79.409
flat angles P-C4'-P energy: -53.101
tors. eta vs tors. theta energy: -82.767
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: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -798.623884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.623884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.623884 (E_RNA)
where:
Base-Base interactions energy: -494.587
where: short stacking energy: -206.970
Base-Backbone interact. energy: -1.109
local terms energy: -302.927412
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -73.078
flat angles C4'-P-C4' energy: -75.987
flat angles P-C4'-P energy: -46.164
tors. eta vs tors. theta energy: -40.946
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: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -712.584641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.584641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.584641 (E_RNA)
where:
Base-Base interactions energy: -424.718
where: short stacking energy: -185.619
Base-Backbone interact. energy: -0.023
local terms energy: -287.843709
where:
bonds (distance) C4'-P energy: -60.787
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -81.260
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -34.162
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: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -340.203567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.203567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.203567 (E_RNA)
where:
Base-Base interactions energy: -120.671
where: short stacking energy: -101.306
Base-Backbone interact. energy: -2.015
local terms energy: -217.517328
where:
bonds (distance) C4'-P energy: -65.050
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: 13.523
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: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -312.231886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.231886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.231886 (E_RNA)
where:
Base-Base interactions energy: -97.871
where: short stacking energy: -76.286
Base-Backbone interact. energy: -0.847
local terms energy: -213.513477
where:
bonds (distance) C4'-P energy: -65.717
bonds (distance) P-C4' energy: -76.773
flat angles C4'-P-C4' energy: -61.275
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: 18.603
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: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1435.880484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.880484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.880484 (E_RNA)
where:
Base-Base interactions energy: -989.356
where: short stacking energy: -430.073
Base-Backbone interact. energy: -0.182
local terms energy: -446.341990
where:
bonds (distance) C4'-P energy: -82.998
bonds (distance) P-C4' energy: -82.653
flat angles C4'-P-C4' energy: -91.911
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: -137.738
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: 2, replica: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1341.782744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.782744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.782744 (E_RNA)
where:
Base-Base interactions energy: -916.159
where: short stacking energy: -370.456
Base-Backbone interact. energy: -1.567
local terms energy: -424.057619
where:
bonds (distance) C4'-P energy: -82.727
bonds (distance) P-C4' energy: -83.453
flat angles C4'-P-C4' energy: -78.299
flat angles P-C4'-P energy: -64.215
tors. eta vs tors. theta energy: -115.364
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: 4
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1230.761433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.761433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.761433 (E_RNA)
where:
Base-Base interactions energy: -828.971
where: short stacking energy: -355.449
Base-Backbone interact. energy: -1.783
local terms energy: -400.007525
where:
bonds (distance) C4'-P energy: -71.358
bonds (distance) P-C4' energy: -69.968
flat angles C4'-P-C4' energy: -81.715
flat angles P-C4'-P energy: -59.160
tors. eta vs tors. theta energy: -117.808
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: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1237.625141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.625141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.625141 (E_RNA)
where:
Base-Base interactions energy: -854.400
where: short stacking energy: -369.239
Base-Backbone interact. energy: -0.022
local terms energy: -383.203169
where:
bonds (distance) C4'-P energy: -75.750
bonds (distance) P-C4' energy: -65.475
flat angles C4'-P-C4' energy: -82.622
flat angles P-C4'-P energy: -54.600
tors. eta vs tors. theta energy: -104.755
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: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1150.481308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.481308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.481308 (E_RNA)
where:
Base-Base interactions energy: -777.203
where: short stacking energy: -322.274
Base-Backbone interact. energy: -1.547
local terms energy: -371.731409
where:
bonds (distance) C4'-P energy: -76.405
bonds (distance) P-C4' energy: -79.091
flat angles C4'-P-C4' energy: -81.763
flat angles P-C4'-P energy: -48.129
tors. eta vs tors. theta energy: -86.344
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: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1119.211375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.211375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.211375 (E_RNA)
where:
Base-Base interactions energy: -777.116
where: short stacking energy: -304.640
Base-Backbone interact. energy: -0.666
local terms energy: -341.429541
where:
bonds (distance) C4'-P energy: -65.711
bonds (distance) P-C4' energy: -66.558
flat angles C4'-P-C4' energy: -73.767
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -85.922
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: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -721.790625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.790625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.790625 (E_RNA)
where:
Base-Base interactions energy: -456.712
where: short stacking energy: -191.662
Base-Backbone interact. energy: 0.426
local terms energy: -265.505200
where:
bonds (distance) C4'-P energy: -61.326
bonds (distance) P-C4' energy: -67.165
flat angles C4'-P-C4' energy: -55.927
flat angles P-C4'-P energy: -47.074
tors. eta vs tors. theta energy: -34.013
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: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -743.242235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.242235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.242235 (E_RNA)
where:
Base-Base interactions energy: -452.908
where: short stacking energy: -197.993
Base-Backbone interact. energy: -0.679
local terms energy: -289.655964
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -76.204
flat angles C4'-P-C4' energy: -52.554
flat angles P-C4'-P energy: -47.645
tors. eta vs tors. theta energy: -48.823
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: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -332.435679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.435679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.435679 (E_RNA)
where:
Base-Base interactions energy: -135.076
where: short stacking energy: -93.401
Base-Backbone interact. energy: -2.136
local terms energy: -195.223859
where:
bonds (distance) C4'-P energy: -50.284
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -43.041
tors. eta vs tors. theta energy: 18.305
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: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -372.231835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.231835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.231835 (E_RNA)
where:
Base-Base interactions energy: -140.064
where: short stacking energy: -106.354
Base-Backbone interact. energy: -0.760
local terms energy: -231.408066
where:
bonds (distance) C4'-P energy: -69.121
bonds (distance) P-C4' energy: -74.546
flat angles C4'-P-C4' energy: -48.706
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -1.719
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: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1402.126689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.126689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.126689 (E_RNA)
where:
Base-Base interactions energy: -964.730
where: short stacking energy: -418.425
Base-Backbone interact. energy: -0.394
local terms energy: -437.002869
where:
bonds (distance) C4'-P energy: -79.002
bonds (distance) P-C4' energy: -73.527
flat angles C4'-P-C4' energy: -98.524
flat angles P-C4'-P energy: -54.675
tors. eta vs tors. theta energy: -131.275
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: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1332.058404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.058404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.058404 (E_RNA)
where:
Base-Base interactions energy: -914.898
where: short stacking energy: -366.392
Base-Backbone interact. energy: -2.069
local terms energy: -415.091671
where:
bonds (distance) C4'-P energy: -71.513
bonds (distance) P-C4' energy: -85.719
flat angles C4'-P-C4' energy: -79.407
flat angles P-C4'-P energy: -54.555
tors. eta vs tors. theta energy: -123.898
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: 501
Temperature: 1.000000
Total energy: -1250.401572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.401572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.401572 (E_RNA)
where:
Base-Base interactions energy: -828.163
where: short stacking energy: -359.272
Base-Backbone interact. energy: -0.455
local terms energy: -421.783769
where:
bonds (distance) C4'-P energy: -84.516
bonds (distance) P-C4' energy: -78.486
flat angles C4'-P-C4' energy: -84.935
flat angles P-C4'-P energy: -55.998
tors. eta vs tors. theta energy: -117.849
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: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1263.794642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.794642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.794642 (E_RNA)
where:
Base-Base interactions energy: -882.965
where: short stacking energy: -378.631
Base-Backbone interact. energy: -0.581
local terms energy: -380.248528
where:
bonds (distance) C4'-P energy: -76.505
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -81.115
flat angles P-C4'-P energy: -53.294
tors. eta vs tors. theta energy: -114.587
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: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1189.290080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.290080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.290080 (E_RNA)
where:
Base-Base interactions energy: -793.436
where: short stacking energy: -333.594
Base-Backbone interact. energy: -0.006
local terms energy: -395.848399
where:
bonds (distance) C4'-P energy: -78.719
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -84.223
flat angles P-C4'-P energy: -54.581
tors. eta vs tors. theta energy: -107.922
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: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1074.194212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.194212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.194212 (E_RNA)
where:
Base-Base interactions energy: -723.323
where: short stacking energy: -307.017
Base-Backbone interact. energy: 0.388
local terms energy: -351.258587
where:
bonds (distance) C4'-P energy: -68.740
bonds (distance) P-C4' energy: -70.309
flat angles C4'-P-C4' energy: -79.598
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -84.782
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: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -764.484581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.484581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.484581 (E_RNA)
where:
Base-Base interactions energy: -478.808
where: short stacking energy: -240.672
Base-Backbone interact. energy: -1.346
local terms energy: -284.330863
where:
bonds (distance) C4'-P energy: -65.071
bonds (distance) P-C4' energy: -59.429
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -38.714
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: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -690.706178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.706178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.706178 (E_RNA)
where:
Base-Base interactions energy: -457.635
where: short stacking energy: -174.426
Base-Backbone interact. energy: -0.754
local terms energy: -232.316678
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -56.961
flat angles C4'-P-C4' energy: -66.020
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -13.712
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: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -337.793115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.793115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.793115 (E_RNA)
where:
Base-Base interactions energy: -134.359
where: short stacking energy: -89.036
Base-Backbone interact. energy: 0.188
local terms energy: -203.621550
where:
bonds (distance) C4'-P energy: -68.784
bonds (distance) P-C4' energy: -67.693
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: 16.140
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: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -320.420339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.420339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.420339 (E_RNA)
where:
Base-Base interactions energy: -118.684
where: short stacking energy: -81.149
Base-Backbone interact. energy: 3.917
local terms energy: -205.653242
where:
bonds (distance) C4'-P energy: -63.569
bonds (distance) P-C4' energy: -61.479
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: 7.332
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 73488656
moves confirmed later: 82385014
all moves confirmed: 155873670
percent of confirmed moves: 19.484209
current total energy: -1312.930426
recalc. total energy: -1312.930426
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 81747359
moves confirmed later: 92653262
all moves confirmed: 174400621
percent of confirmed moves: 21.800078
current total energy: -1273.268493
recalc. total energy: -1273.268493
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 72272498
moves confirmed later: 80115830
all moves confirmed: 152388328
percent of confirmed moves: 19.048541
current total energy: -1147.141420
recalc. total energy: -1147.141420
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 82332561
moves confirmed later: 93343076
all moves confirmed: 175675637
percent of confirmed moves: 21.959455
current total energy: -1087.605440
recalc. total energy: -1087.605440
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 71692038
moves confirmed later: 80005932
all moves confirmed: 151697970
percent of confirmed moves: 18.962246
current total energy: -1040.549407
recalc. total energy: -1040.549407
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 61817897
moves confirmed later: 67344342
all moves confirmed: 129162239
percent of confirmed moves: 16.145280
current total energy: -957.095631
recalc. total energy: -957.095631
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 87779187
moves confirmed later: 100186293
all moves confirmed: 187965480
percent of confirmed moves: 23.495685
current total energy: -667.735305
recalc. total energy: -667.735305
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 126957629
moves confirmed later: 151160183
all moves confirmed: 278117812
percent of confirmed moves: 34.764727
current total energy: -512.171554
recalc. total energy: -512.171554
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 150694133
moves confirmed later: 182332614
all moves confirmed: 333026747
percent of confirmed moves: 41.628343
current total energy: -219.038002
recalc. total energy: -219.038002
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 154000191
moves confirmed later: 186480427
all moves confirmed: 340480618
percent of confirmed moves: 42.560077
current total energy: -218.483817
recalc. total energy: -218.483817
out arg RESULTS//1/prfA_no_restraint-dfbe4677_01
Time of doing 8000000 iterations: 24544.448 seconds